6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

C205H256F3N41O28 — CID 160827196

IUPAC6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ncn2)C1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ncn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ncn2)CC1.Cc1nc(CC2COC2)cc(C(=O)NC[C@H](O)CN2Cc3ccccc3C2)n1.O=C(NC[C@H](O)CN1CCc2ccccc21)c1cc(CC2COC2)ncn1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(CC2COC2)nc(C(F)(F)F)n1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(NC2COC2)nc(N2CCOCC2)n1
InChIInChI=1S/2C25H32N4O3.2C24H31N5O3.C23H30N6O4.C22H27N5O3.C21H23F3N4O3.C21H26N4O3.C20H24N4O3/c1-18(30)28-11-7-19(8-12-28)14-22-15-21(6-10-26-22)25(32)27-16-23(31)17-29-13-9-20-4-2-3-5-24(20)29;1-18(30)29-10-7-19(8-11-29)12-23-13-20(6-9-26-23)25(32)27-14-24(31)17-28-15-21-4-2-3-5-22(21)16-28;1-17(30)28-9-6-18(7-10-28)12-20-13-22(27-16-26-20)24(32)25-14-21(31)15-29-11-8-19-4-2-3-5-23(19)29;1-17(30)29-8-6-18(7-9-29)10-21-11-23(27-16-26-21)24(32)25-12-22(31)15-28-13-19-4-2-3-5-20(19)14-28;30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29;1-15(28)27-11-16(12-27)8-18-9-20(25-14-24-18)22(30)23-10-19(29)13-26-7-6-17-4-2-3-5-21(17)26;22-21(23,24)20-26-16(5-13-11-31-12-13)6-18(27-20)19(30)25-7-17(29)10-28-8-14-3-1-2-4-15(14)9-28;1-14-23-18(6-15-12-28-13-15)7-20(24-14)21(27)22-8-19(26)11-25-9-16-4-2-3-5-17(16)10-25;25-17(10-24-6-5-15-3-1-2-4-19(15)24)9-21-20(26)18-8-16(22-13-23-18)7-14-11-27-12-14/h2-6,10,15,19,23,31H,7-9,11-14,16-17H2,1H3,(H,27,32);2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-5,13,16,18,21,31H,6-12,14-15H2,1H3,(H,25,32);2-5,11,16,18,22,31H,6-10,12-15H2,1H3,(H,25,32);1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(H,25,26,27);2-5,9,14,16,19,29H,6-8,10-13H2,1H3,(H,23,30);1-4,6,13,17,29H,5,7-12H2,(H,25,30);2-5,7,15,19,26H,6,8-13H2,1H3,(H,22,27);1-4,8,13-14,17,25H,5-7,9-12H2,(H,21,26)/t23-;24-;21-;22-;2*19-;17-;19-;17-/m000000000/s1
InChIKeySGIIGTYUIXNIBU-KYRUWWFVSA-N
MW3799.56 g/mol
LogP11.41
Rot. Bonds64

About 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 160827196) has the molecular formula C205H256F3N41O28 and a molecular weight of 3799.56 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID160827196
Molecular FormulaC205H256F3N41O28
Molecular Weight3799.56 g/mol
Exact Mass3796.98
IUPAC Name6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ncn2)C1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ncn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ncn2)CC1.Cc1nc(CC2COC2)cc(C(=O)NC[C@H](O)CN2Cc3ccccc3C2)n1.O=C(NC[C@H](O)CN1CCc2ccccc21)c1cc(CC2COC2)ncn1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(CC2COC2)nc(C(F)(F)F)n1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(NC2COC2)nc(N2CCOCC2)n1
InChIInChI=1S/2C25H32N4O3.2C24H31N5O3.C23H30N6O4.C22H27N5O3.C21H23F3N4O3.C21H26N4O3.C20H24N4O3/c1-18(30)28-11-7-19(8-12-28)14-22-15-21(6-10-26-22)25(32)27-16-23(31)17-29-13-9-20-4-2-3-5-24(20)29;1-18(30)29-10-7-19(8-11-29)12-23-13-20(6-9-26-23)25(32)27-14-24(31)17-28-15-21-4-2-3-5-22(21)16-28;1-17(30)28-9-6-18(7-10-28)12-20-13-22(27-16-26-20)24(32)25-14-21(31)15-29-11-8-19-4-2-3-5-23(19)29;1-17(30)29-8-6-18(7-9-29)10-21-11-23(27-16-26-21)24(32)25-12-22(31)15-28-13-19-4-2-3-5-20(19)14-28;30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29;1-15(28)27-11-16(12-27)8-18-9-20(25-14-24-18)22(30)23-10-19(29)13-26-7-6-17-4-2-3-5-21(17)26;22-21(23,24)20-26-16(5-13-11-31-12-13)6-18(27-20)19(30)25-7-17(29)10-28-8-14-3-1-2-4-15(14)9-28;1-14-23-18(6-15-12-28-13-15)7-20(24-14)21(27)22-8-19(26)11-25-9-16-4-2-3-5-17(16)10-25;25-17(10-24-6-5-15-3-1-2-4-19(15)24)9-21-20(26)18-8-16(22-13-23-18)7-14-11-27-12-14/h2-6,10,15,19,23,31H,7-9,11-14,16-17H2,1H3,(H,27,32);2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-5,13,16,18,21,31H,6-12,14-15H2,1H3,(H,25,32);2-5,11,16,18,22,31H,6-10,12-15H2,1H3,(H,25,32);1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(H,25,26,27);2-5,9,14,16,19,29H,6-8,10-13H2,1H3,(H,23,30);1-4,6,13,17,29H,5,7-12H2,(H,25,30);2-5,7,15,19,26H,6,8-13H2,1H3,(H,22,27);1-4,8,13-14,17,25H,5-7,9-12H2,(H,21,26)/t23-;24-;21-;22-;2*19-;17-;19-;17-/m000000000/s1
InChIKeySGIIGTYUIXNIBU-KYRUWWFVSA-N
XLogP11.41
TPSA842.34 Ų
H-Bond Donors19
H-Bond Acceptors55
Rotatable Bonds64
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003799.56
LogP ≤ 511.41
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1055

Analyze 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 160827196) is 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is CC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ncn2)C1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc43)ncn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ncn2)CC1.Cc1nc(CC2COC2)cc(C(=O)NC[C@H](O)CN2Cc3ccccc3C2)n1.O=C(NC[C@H](O)CN1CCc2ccccc21)c1cc(CC2COC2)ncn1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(CC2COC2)nc(C(F)(F)F)n1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(NC2COC2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is SGIIGTYUIXNIBU-KYRUWWFVSA-N. The full InChI is InChI=1S/2C25H32N4O3.2C24H31N5O3.C23H30N6O4.C22H27N5O3.C21H23F3N4O3.C21H26N4O3.C20H24N4O3/c1-18(30)28-11-7-19(8-12-28)14-22-15-21(6-10-26-22)25(32)27-16-23(31)17-29-13-9-20-4-2-3-5-24(20)29;1-18(30)29-10-7-19(8-11-29)12-23-13-20(6-9-26-23)25(32)27-14-24(31)17-28-15-21-4-2-3-5-22(21)16-28;1-17(30)28-9-6-18(7-10-28)12-20-13-22(27-16-26-20)24(32)25-14-21(31)15-29-11-8-19-4-2-3-5-23(19)29;1-17(30)29-8-6-18(7-9-29)10-21-11-23(27-16-26-21)24(32)25-12-22(31)15-28-13-19-4-2-3-5-20(19)14-28;30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29;1-15(28)27-11-16(12-27)8-18-9-20(25-14-24-18)22(30)23-10-19(29)13-26-7-6-17-4-2-3-5-21(17)26;22-21(23,24)20-26-16(5-13-11-31-12-13)6-18(27-20)19(30)25-7-17(29)10-28-8-14-3-1-2-4-15(14)9-28;1-14-23-18(6-15-12-28-13-15)7-20(24-14)21(27)22-8-19(26)11-25-9-16-4-2-3-5-17(16)10-25;25-17(10-24-6-5-15-3-1-2-4-19(15)24)9-21-20(26)18-8-16(22-13-23-18)7-14-11-27-12-14/h2-6,10,15,19,23,31H,7-9,11-14,16-17H2,1H3,(H,27,32);2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-5,13,16,18,21,31H,6-12,14-15H2,1H3,(H,25,32);2-5,11,16,18,22,31H,6-10,12-15H2,1H3,(H,25,32);1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(H,25,26,27);2-5,9,14,16,19,29H,6-8,10-13H2,1H3,(H,23,30);1-4,6,13,17,29H,5,7-12H2,(H,25,30);2-5,7,15,19,26H,6,8-13H2,1H3,(H,22,27);1-4,8,13-14,17,25H,5-7,9-12H2,(H,21,26)/t23-;24-;21-;22-;2*19-;17-;19-;17-/m000000000/s1.
What are the key properties of 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 3799.56 g/mol, XLogP of 11.41, 64 rotatable bonds, 19 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 160827196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).