6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide

C189H249N37O23 — CID 161293179

IUPAC6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)nc(C(C)(C)C)n2)C1.COC(CNC(=O)c1cc(CC2CCN(C(C)=O)CC2)ncn1)CN1CCc2ccccc2C1.COC(CNC(=O)c1cc(CC2CCN(C)CC2)ncn1)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)C1=CC2=N[C@H](CO)CN2C=N1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCNCC2)ccn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)nc(CC2COC2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(CC2CCOC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(CC2COC2)c1
InChIInChI=1S/C27H37N5O3.C26H35N5O3.C25H35N5O2.C24H31N5O4.C24H32N4O2.C22H28N4O3.C21H26N4O3.C20H25N5O3/c1-18(33)32-14-19(15-32)11-22-12-24(30-26(29-22)27(2,3)4)25(35)28-13-23(34)17-31-10-9-20-7-5-6-8-21(20)16-31;1-19(32)31-11-7-20(8-12-31)13-23-14-25(29-18-28-23)26(33)27-15-24(34-2)17-30-10-9-21-5-3-4-6-22(21)16-30;1-29-10-7-19(8-11-29)13-22-14-24(28-18-27-22)25(31)26-15-23(32-2)17-30-12-9-20-5-3-4-6-21(20)16-30;30-20(11-29-6-5-17-3-1-2-4-18(17)10-29)9-25-24(31)21-8-23(26-19-14-33-15-19)28-22(27-21)7-16-12-32-13-16;29-22(17-28-12-8-20-3-1-2-4-21(20)16-28)15-27-24(30)23-14-19(7-11-26-23)13-18-5-9-25-10-6-18;27-21(14-26-7-5-17-3-1-2-4-18(17)13-26)12-23-22(28)19-10-20(25-24-11-19)9-16-6-8-29-15-16;26-20(12-25-6-5-16-3-1-2-4-17(16)11-25)10-22-21(27)18-8-19(24-23-9-18)7-15-13-28-14-15;26-12-16-10-25-13-22-18(7-19(25)23-16)20(28)21-8-17(27)11-24-6-5-14-3-1-2-4-15(14)9-24/h5-8,12,19,23,34H,9-11,13-17H2,1-4H3,(H,28,35);3-6,14,18,20,24H,7-13,15-17H2,1-2H3,(H,27,33);3-6,14,18-19,23H,7-13,15-17H2,1-2H3,(H,26,31);1-4,8,16,19-20,30H,5-7,9-15H2,(H,25,31)(H,26,27,28);1-4,7,11,14,18,22,25,29H,5-6,8-10,12-13,15-17H2,(H,27,30);1-4,10-11,16,21,27H,5-9,12-15H2,(H,23,28);1-4,8-9,15,20,26H,5-7,10-14H2,(H,22,27);1-4,7,13,16-17,26-27H,5-6,8-12H2,(H,21,28)/t23-;;;20-;22-;16?,21-;20-;16-,17-/m0..00000/s1
InChIKeyVGPZNLBFCSZTDZ-HMWTYEODSA-N
MW3407.31 g/mol
LogP10.13
Rot. Bonds59

About 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide

6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 161293179) has the molecular formula C189H249N37O23 and a molecular weight of 3407.31 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide
PubChem CID161293179
Molecular FormulaC189H249N37O23
Molecular Weight3407.31 g/mol
Exact Mass3404.95
IUPAC Name6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)nc(C(C)(C)C)n2)C1.COC(CNC(=O)c1cc(CC2CCN(C(C)=O)CC2)ncn1)CN1CCc2ccccc2C1.COC(CNC(=O)c1cc(CC2CCN(C)CC2)ncn1)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)C1=CC2=N[C@H](CO)CN2C=N1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCNCC2)ccn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)nc(CC2COC2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(CC2CCOC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(CC2COC2)c1
InChIInChI=1S/C27H37N5O3.C26H35N5O3.C25H35N5O2.C24H31N5O4.C24H32N4O2.C22H28N4O3.C21H26N4O3.C20H25N5O3/c1-18(33)32-14-19(15-32)11-22-12-24(30-26(29-22)27(2,3)4)25(35)28-13-23(34)17-31-10-9-20-7-5-6-8-21(20)16-31;1-19(32)31-11-7-20(8-12-31)13-23-14-25(29-18-28-23)26(33)27-15-24(34-2)17-30-10-9-21-5-3-4-6-22(21)16-30;1-29-10-7-19(8-11-29)13-22-14-24(28-18-27-22)25(31)26-15-23(32-2)17-30-12-9-20-5-3-4-6-21(20)16-30;30-20(11-29-6-5-17-3-1-2-4-18(17)10-29)9-25-24(31)21-8-23(26-19-14-33-15-19)28-22(27-21)7-16-12-32-13-16;29-22(17-28-12-8-20-3-1-2-4-21(20)16-28)15-27-24(30)23-14-19(7-11-26-23)13-18-5-9-25-10-6-18;27-21(14-26-7-5-17-3-1-2-4-18(17)13-26)12-23-22(28)19-10-20(25-24-11-19)9-16-6-8-29-15-16;26-20(12-25-6-5-16-3-1-2-4-17(16)11-25)10-22-21(27)18-8-19(24-23-9-18)7-15-13-28-14-15;26-12-16-10-25-13-22-18(7-19(25)23-16)20(28)21-8-17(27)11-24-6-5-14-3-1-2-4-15(14)9-24/h5-8,12,19,23,34H,9-11,13-17H2,1-4H3,(H,28,35);3-6,14,18,20,24H,7-13,15-17H2,1-2H3,(H,27,33);3-6,14,18-19,23H,7-13,15-17H2,1-2H3,(H,26,31);1-4,8,16,19-20,30H,5-7,9-15H2,(H,25,31)(H,26,27,28);1-4,7,11,14,18,22,25,29H,5-6,8-10,12-13,15-17H2,(H,27,30);1-4,10-11,16,21,27H,5-9,12-15H2,(H,23,28);1-4,8-9,15,20,26H,5-7,10-14H2,(H,22,27);1-4,7,13,16-17,26-27H,5-6,8-12H2,(H,21,28)/t23-;;;20-;22-;16?,21-;20-;16-,17-/m0..00000/s1
InChIKeyVGPZNLBFCSZTDZ-HMWTYEODSA-N
XLogP10.13
TPSA719.16 Ų
H-Bond Donors17
H-Bond Acceptors50
Rotatable Bonds59
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003407.31
LogP ≤ 510.13
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1050

Analyze 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide;4-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(dimethylamino)pyridine-2-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-2-hydroxy-3-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-2-hydroxy-3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(pyrrolidin-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-2-hydroxy-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-2-hydroxy-3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 160903422
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 146253808
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
CID 146843257
6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[[1-(2-amino-2-oxoethyl)azetidin-3-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-[2-(dimethylamino)-2-oxoethyl]azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-ethylsulfonylethylamino)methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)-methylamino]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-[2-(methylamino)-2-oxoethyl]azetidin-3-yl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1-methylpiperidin-4-yl)oxypyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-piperidin-4-yloxypyridazine-4-carboxamide
CID 161085866
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 90241674
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide
CID 147382402
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-fluoro-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(3-morpholin-4-ylpropyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yloxy)benzamide
CID 161045752
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylamino)pyrimidine-4-carboxamide
CID 123775073
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide
CID 170059459
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-4-carboxamide
CID 118554065
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[(2-hydroxy-2-methylpropyl)amino]methyl]-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide
CID 118552570
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-2-hydroxy-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
CID 158465715

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide (CID 161293179) is 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide is CC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)nc(C(C)(C)C)n2)C1.COC(CNC(=O)c1cc(CC2CCN(C(C)=O)CC2)ncn1)CN1CCc2ccccc2C1.COC(CNC(=O)c1cc(CC2CCN(C)CC2)ncn1)CN1CCc2ccccc2C1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)C1=CC2=N[C@H](CO)CN2C=N1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCNCC2)ccn1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)nc(CC2COC2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(CC2CCOC2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnnc(CC2COC2)c1.
What is the InChIKey of 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is VGPZNLBFCSZTDZ-HMWTYEODSA-N. The full InChI is InChI=1S/C27H37N5O3.C26H35N5O3.C25H35N5O2.C24H31N5O4.C24H32N4O2.C22H28N4O3.C21H26N4O3.C20H25N5O3/c1-18(33)32-14-19(15-32)11-22-12-24(30-26(29-22)27(2,3)4)25(35)28-13-23(34)17-31-10-9-20-7-5-6-8-21(20)16-31;1-19(32)31-11-7-20(8-12-31)13-23-14-25(29-18-28-23)26(33)27-15-24(34-2)17-30-10-9-21-5-3-4-6-22(21)16-30;1-29-10-7-19(8-11-29)13-22-14-24(28-18-27-22)25(31)26-15-23(32-2)17-30-12-9-20-5-3-4-6-21(20)16-30;30-20(11-29-6-5-17-3-1-2-4-18(17)10-29)9-25-24(31)21-8-23(26-19-14-33-15-19)28-22(27-21)7-16-12-32-13-16;29-22(17-28-12-8-20-3-1-2-4-21(20)16-28)15-27-24(30)23-14-19(7-11-26-23)13-18-5-9-25-10-6-18;27-21(14-26-7-5-17-3-1-2-4-18(17)13-26)12-23-22(28)19-10-20(25-24-11-19)9-16-6-8-29-15-16;26-20(12-25-6-5-16-3-1-2-4-17(16)11-25)10-22-21(27)18-8-19(24-23-9-18)7-15-13-28-14-15;26-12-16-10-25-13-22-18(7-19(25)23-16)20(28)21-8-17(27)11-24-6-5-14-3-1-2-4-15(14)9-24/h5-8,12,19,23,34H,9-11,13-17H2,1-4H3,(H,28,35);3-6,14,18,20,24H,7-13,15-17H2,1-2H3,(H,27,33);3-6,14,18-19,23H,7-13,15-17H2,1-2H3,(H,26,31);1-4,8,16,19-20,30H,5-7,9-15H2,(H,25,31)(H,26,27,28);1-4,7,11,14,18,22,25,29H,5-6,8-10,12-13,15-17H2,(H,27,30);1-4,10-11,16,21,27H,5-9,12-15H2,(H,23,28);1-4,8-9,15,20,26H,5-7,10-14H2,(H,22,27);1-4,7,13,16-17,26-27H,5-6,8-12H2,(H,21,28)/t23-;;;20-;22-;16?,21-;20-;16-,17-/m0..00000/s1.
What are the key properties of 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide?
6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 3407.31 g/mol, XLogP of 10.13, 59 rotatable bonds, 17 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylazetidin-3-yl)methyl]-2-tert-butyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]pyrimidine-4-carboxamide;(2S)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(hydroxymethyl)-2,3-dihydroimidazo[1,2-c]pyrimidine-7-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxolan-3-ylmethyl)pyridazine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperidin-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 161293179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).