6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide

C209H280N38O24 — CID 158606412

IUPAC6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CC(=O)NC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CCC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CN(C)C(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCC(C(=O)N3CCOCC3)CC2)ncn1
InChIInChI=1S/C29H39N5O4.C27H37N5O3.C27H36N4O3.C26H35N5O3.C26H34N4O3.2C25H33N5O3.C24H33N5O2/c35-26(19-33-10-9-22-3-1-2-4-24(22)18-33)17-30-28(36)27-16-25(31-20-32-27)15-21-5-7-23(8-6-21)29(37)34-11-13-38-14-12-34;1-31(2)27(35)21-9-7-19(8-10-21)13-23-14-25(30-18-29-23)26(34)28-15-24(33)17-32-12-11-20-5-3-4-6-22(20)16-32;1-2-26(33)21-9-7-19(8-10-21)13-23-14-25(30-18-29-23)27(34)28-15-24(32)17-31-12-11-20-5-3-4-6-22(20)16-31;1-18(32)30-22-8-6-19(7-9-22)12-23-13-25(29-17-28-23)26(34)27-14-24(33)16-31-11-10-20-4-2-3-5-21(20)15-31;1-18(31)20-8-6-19(7-9-20)12-23-13-25(29-17-28-23)26(33)27-14-24(32)16-30-11-10-21-4-2-3-5-22(21)15-30;2*26-24(32)19-7-5-17(6-8-19)11-21-12-23(29-16-28-21)25(33)27-13-22(31)15-30-10-9-18-3-1-2-4-20(18)14-30;25-20-7-5-17(6-8-20)11-21-12-23(28-16-27-21)24(31)26-13-22(30)15-29-10-9-18-3-1-2-4-19(18)14-29/h1-4,16,20-21,23,26,35H,5-15,17-19H2,(H,30,36);3-6,14,18-19,21,24,33H,7-13,15-17H2,1-2H3,(H,28,34);3-6,14,18-19,21,24,32H,2,7-13,15-17H2,1H3,(H,28,34);2-5,13,17,19,22,24,33H,6-12,14-16H2,1H3,(H,27,34)(H,30,32);2-5,13,17,19-20,24,32H,6-12,14-16H2,1H3,(H,27,33);2*1-4,12,16-17,19,22,31H,5-11,13-15H2,(H2,26,32)(H,27,33);1-4,12,16-17,20,22,30H,5-11,13-15,25H2,(H,26,31)/t21?,23?,26-;2*19?,21?,24-;19?,22?,24-;19?,20?,24-;2*17?,19?,22-;17?,20?,22-/m00000000/s1
InChIKeyHWHAZBANPDBNKS-PSJYCROHSA-N
MW3708.78 g/mol
LogP15.88
Rot. Bonds64

About 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide

6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide (PubChem CID 158606412) has the molecular formula C209H280N38O24 and a molecular weight of 3708.78 g/mol. Its IUPAC name is 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide
PubChem CID158606412
Molecular FormulaC209H280N38O24
Molecular Weight3708.78 g/mol
Exact Mass3706.19
IUPAC Name6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CC(=O)NC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CCC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CN(C)C(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCC(C(=O)N3CCOCC3)CC2)ncn1
InChIInChI=1S/C29H39N5O4.C27H37N5O3.C27H36N4O3.C26H35N5O3.C26H34N4O3.2C25H33N5O3.C24H33N5O2/c35-26(19-33-10-9-22-3-1-2-4-24(22)18-33)17-30-28(36)27-16-25(31-20-32-27)15-21-5-7-23(8-6-21)29(37)34-11-13-38-14-12-34;1-31(2)27(35)21-9-7-19(8-10-21)13-23-14-25(30-18-29-23)26(34)28-15-24(33)17-32-12-11-20-5-3-4-6-22(20)16-32;1-2-26(33)21-9-7-19(8-10-21)13-23-14-25(30-18-29-23)27(34)28-15-24(32)17-31-12-11-20-5-3-4-6-22(20)16-31;1-18(32)30-22-8-6-19(7-9-22)12-23-13-25(29-17-28-23)26(34)27-14-24(33)16-31-11-10-20-4-2-3-5-21(20)15-31;1-18(31)20-8-6-19(7-9-20)12-23-13-25(29-17-28-23)26(33)27-14-24(32)16-30-11-10-21-4-2-3-5-22(21)15-30;2*26-24(32)19-7-5-17(6-8-19)11-21-12-23(29-16-28-21)25(33)27-13-22(31)15-30-10-9-18-3-1-2-4-20(18)14-30;25-20-7-5-17(6-8-20)11-21-12-23(28-16-27-21)24(31)26-13-22(30)15-29-10-9-18-3-1-2-4-19(18)14-29/h1-4,16,20-21,23,26,35H,5-15,17-19H2,(H,30,36);3-6,14,18-19,21,24,33H,7-13,15-17H2,1-2H3,(H,28,34);3-6,14,18-19,21,24,32H,2,7-13,15-17H2,1H3,(H,28,34);2-5,13,17,19,22,24,33H,6-12,14-16H2,1H3,(H,27,34)(H,30,32);2-5,13,17,19-20,24,32H,6-12,14-16H2,1H3,(H,27,33);2*1-4,12,16-17,19,22,31H,5-11,13-15H2,(H2,26,32)(H,27,33);1-4,12,16-17,20,22,30H,5-11,13-15,25H2,(H,26,31)/t21?,23?,26-;2*19?,21?,24-;19?,22?,24-;19?,20?,24-;2*17?,19?,22-;17?,20?,22-/m00000000/s1
InChIKeyHWHAZBANPDBNKS-PSJYCROHSA-N
XLogP15.88
TPSA852.09 Ų
H-Bond Donors20
H-Bond Acceptors49
Rotatable Bonds64
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003708.78
LogP ≤ 515.88
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1049

Analyze 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
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CID 123488188
6-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 158007785
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 146253808
6-[(4-acetamidocyclohexyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553957
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-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(3-methoxycyclobutyl)methyl]pyrimidine-4-carboxamide
CID 147633885
6-[[4-[acetyl(methyl)amino]cyclohexyl]amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 123351265
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(2-methylsulfonylethyl)azetidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 161237039
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 90241674
6-[[3-(azetidine-1-carbonyl)cyclobutyl]amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553988
N-[(2S)-3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 162012287

Frequently Asked Questions

What is the IUPAC name of 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide (CID 158606412) is 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide is CC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CC(=O)NC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CCC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.CN(C)C(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC(=O)C1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.NC1CCC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2CCC(C(=O)N3CCOCC3)CC2)ncn1.
What is the InChIKey of 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is HWHAZBANPDBNKS-PSJYCROHSA-N. The full InChI is InChI=1S/C29H39N5O4.C27H37N5O3.C27H36N4O3.C26H35N5O3.C26H34N4O3.2C25H33N5O3.C24H33N5O2/c35-26(19-33-10-9-22-3-1-2-4-24(22)18-33)17-30-28(36)27-16-25(31-20-32-27)15-21-5-7-23(8-6-21)29(37)34-11-13-38-14-12-34;1-31(2)27(35)21-9-7-19(8-10-21)13-23-14-25(30-18-29-23)26(34)28-15-24(33)17-32-12-11-20-5-3-4-6-22(20)16-32;1-2-26(33)21-9-7-19(8-10-21)13-23-14-25(30-18-29-23)27(34)28-15-24(32)17-31-12-11-20-5-3-4-6-22(20)16-31;1-18(32)30-22-8-6-19(7-9-22)12-23-13-25(29-17-28-23)26(34)27-14-24(33)16-31-11-10-20-4-2-3-5-21(20)15-31;1-18(31)20-8-6-19(7-9-20)12-23-13-25(29-17-28-23)26(33)27-14-24(32)16-30-11-10-21-4-2-3-5-22(21)15-30;2*26-24(32)19-7-5-17(6-8-19)11-21-12-23(29-16-28-21)25(33)27-13-22(31)15-30-10-9-18-3-1-2-4-20(18)14-30;25-20-7-5-17(6-8-20)11-21-12-23(28-16-27-21)24(31)26-13-22(30)15-29-10-9-18-3-1-2-4-19(18)14-29/h1-4,16,20-21,23,26,35H,5-15,17-19H2,(H,30,36);3-6,14,18-19,21,24,33H,7-13,15-17H2,1-2H3,(H,28,34);3-6,14,18-19,21,24,32H,2,7-13,15-17H2,1H3,(H,28,34);2-5,13,17,19,22,24,33H,6-12,14-16H2,1H3,(H,27,34)(H,30,32);2-5,13,17,19-20,24,32H,6-12,14-16H2,1H3,(H,27,33);2*1-4,12,16-17,19,22,31H,5-11,13-15H2,(H2,26,32)(H,27,33);1-4,12,16-17,20,22,30H,5-11,13-15,25H2,(H,26,31)/t21?,23?,26-;2*19?,21?,24-;19?,22?,24-;19?,20?,24-;2*17?,19?,22-;17?,20?,22-/m00000000/s1.
What are the key properties of 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide?
6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 3708.78 g/mol, XLogP of 15.88, 64 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-acetamidocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-acetylcyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-[(4-aminocyclohexyl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;bis(6-[(4-carbamoylcyclohexyl)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-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-propanoylcyclohexyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 158606412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).