N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

C97H89Cl4N27O10 — CID 160914680

IUPACN-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1nc2ncnc(-c3c[nH]c(C(=O)NC(CO)c4cccc(Cl)c4)c3)c2[nH]1.Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3ncnc4[nH]ccc34)c[nH]2)c1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3c2CCN3)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3nc[nH]c23)c[nH]1
InChIInChI=1S/C21H21ClN6O2.C20H19N5O2.C19H18ClN5O2.C19H16ClN5O2.C18H15ClN6O2/c1-2-4-17-27-19-18(24-11-25-20(19)28-17)13-8-15(23-9-13)21(30)26-16(10-29)12-5-3-6-14(22)7-12;1-12-3-2-4-13(7-12)17(10-26)25-20(27)16-8-14(9-22-16)18-15-5-6-21-19(15)24-11-23-18;2*20-13-3-1-2-11(6-13)16(9-26)25-19(27)15-7-12(8-22-15)17-14-4-5-21-18(14)24-10-23-17;19-12-3-1-2-10(4-12)14(7-26)25-18(27)13-5-11(6-20-13)15-16-17(23-8-21-15)24-9-22-16/h3,5-9,11,16,23,29H,2,4,10H2,1H3,(H,26,30)(H,24,25,27,28);2-9,11,17,22,26H,10H2,1H3,(H,25,27)(H,21,23,24);1-3,6-8,10,16,22,26H,4-5,9H2,(H,25,27)(H,21,23,24);1-8,10,16,22,26H,9H2,(H,25,27)(H,21,23,24);1-6,8-9,14,20,26H,7H2,(H,25,27)(H,21,22,23,24)/t;17-;;;/m.1.../s1
InChIKeySRGATZOQFDRSFX-DOKKIWBJSA-N
MW1934.77 g/mol
LogP14.23
Rot. Bonds27

About N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 160914680) has the molecular formula C97H89Cl4N27O10 and a molecular weight of 1934.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID160914680
Molecular FormulaC97H89Cl4N27O10
Molecular Weight1934.77 g/mol
Exact Mass1931.60
IUPAC NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1nc2ncnc(-c3c[nH]c(C(=O)NC(CO)c4cccc(Cl)c4)c3)c2[nH]1.Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3ncnc4[nH]ccc34)c[nH]2)c1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3c2CCN3)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3nc[nH]c23)c[nH]1
InChIInChI=1S/C21H21ClN6O2.C20H19N5O2.C19H18ClN5O2.C19H16ClN5O2.C18H15ClN6O2/c1-2-4-17-27-19-18(24-11-25-20(19)28-17)13-8-15(23-9-13)21(30)26-16(10-29)12-5-3-6-14(22)7-12;1-12-3-2-4-13(7-12)17(10-26)25-20(27)16-8-14(9-22-16)18-15-5-6-21-19(15)24-11-23-18;2*20-13-3-1-2-11(6-13)16(9-26)25-19(27)15-7-12(8-22-15)17-14-4-5-21-18(14)24-10-23-17;19-12-3-1-2-10(4-12)14(7-26)25-18(27)13-5-11(6-20-13)15-16-17(23-8-21-15)24-9-22-16/h3,5-9,11,16,23,29H,2,4,10H2,1H3,(H,26,30)(H,24,25,27,28);2-9,11,17,22,26H,10H2,1H3,(H,25,27)(H,21,23,24);1-3,6-8,10,16,22,26H,4-5,9H2,(H,25,27)(H,21,23,24);1-8,10,16,22,26H,9H2,(H,25,27)(H,21,23,24);1-6,8-9,14,20,26H,7H2,(H,25,27)(H,21,22,23,24)/t;17-;;;/m.1.../s1
InChIKeySRGATZOQFDRSFX-DOKKIWBJSA-N
XLogP14.23
TPSA555.47 Ų
H-Bond Donors20
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.77
LogP ≤ 514.23
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1023

Analyze N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-[4-[acetyl(dimethylamino)amino]-1,3,5-triazin-2-yl]-N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-aminophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;bis(N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide);N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-(2H-triazolo[4,5-d]pyrimidin-7-yl)-1H-pyrrole-2-carboxamide
CID 158006311
4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 161391041
4-(4-anilino-1,3,5-triazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-(3,3,3-trifluoropropylamino)-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 161523635
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide
CID 10022815
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide
CID 10071034
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide
CID 59767802
4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91532348
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-N-methyl-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide
CID 142932784
N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 157051716
4-amino-1H-imidazole-5-carboxamide;4-[(3-chlorobenzoyl)amino]-1H-imidazole-5-carboxamide;6-chloro-2-(3-chlorophenyl)-7H-purine;2-(3-chlorophenyl)-1,7-dihydropurin-6-one;2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;methane;molecular iodine;triiodide;hydroiodide
CID 157052159
3-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-fluoro-7H-purin-6-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(8-fluoro-7H-purin-6-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one
CID 157120910
Ethyl 6-chloro-1-[3-(dimethylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[3-(methylcarbamoyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;ethyl 6-chloro-1-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;6-methyl-1-(4-propan-2-ylphenyl)-2-pyrazin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 157173373

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide (CID 160914680) is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is CCCc1nc2ncnc(-c3c[nH]c(C(=O)NC(CO)c4cccc(Cl)c4)c3)c2[nH]1.Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3ncnc4[nH]ccc34)c[nH]2)c1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3[nH]ccc23)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3c2CCN3)c[nH]1.O=C(NC(CO)c1cccc(Cl)c1)c1cc(-c2ncnc3nc[nH]c23)c[nH]1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SRGATZOQFDRSFX-DOKKIWBJSA-N. The full InChI is InChI=1S/C21H21ClN6O2.C20H19N5O2.C19H18ClN5O2.C19H16ClN5O2.C18H15ClN6O2/c1-2-4-17-27-19-18(24-11-25-20(19)28-17)13-8-15(23-9-13)21(30)26-16(10-29)12-5-3-6-14(22)7-12;1-12-3-2-4-13(7-12)17(10-26)25-20(27)16-8-14(9-22-16)18-15-5-6-21-19(15)24-11-23-18;2*20-13-3-1-2-11(6-13)16(9-26)25-19(27)15-7-12(8-22-15)17-14-4-5-21-18(14)24-10-23-17;19-12-3-1-2-10(4-12)14(7-26)25-18(27)13-5-11(6-20-13)15-16-17(23-8-21-15)24-9-22-16/h3,5-9,11,16,23,29H,2,4,10H2,1H3,(H,26,30)(H,24,25,27,28);2-9,11,17,22,26H,10H2,1H3,(H,25,27)(H,21,23,24);1-3,6-8,10,16,22,26H,4-5,9H2,(H,25,27)(H,21,23,24);1-8,10,16,22,26H,9H2,(H,25,27)(H,21,23,24);1-6,8-9,14,20,26H,7H2,(H,25,27)(H,21,22,23,24)/t;17-;;;/m.1.../s1.
What are the key properties of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide?
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 1934.77 g/mol, XLogP of 14.23, 27 rotatable bonds, 20 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(8-propyl-7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 160914680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).