2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid

C88H80Cl2N28O9 — CID 158102803

IUPAC2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid
SMILESCc1[nH]c2ncnc(Nc3ccc(C(N)=O)cc3OC(C)C)c2c1C.Cc1[nH]c2ncnc(Nc3ccccc3OC3CCOC3)c2c1C.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1
InChIInChI=1S/C18H21N5O2.C18H20N4O2.C13H10ClN5O.C13H9ClN4O2.C13H10N6.C13H10N4O2/c1-9(2)25-14-7-12(16(19)24)5-6-13(14)23-18-15-10(3)11(4)22-17(15)20-8-21-18;1-11-12(2)21-17-16(11)18(20-10-19-17)22-14-5-3-4-6-15(14)24-13-7-8-23-9-13;14-10-5-7(1-2-8(10)11(15)20)19-13-9-3-4-16-12(9)17-6-18-13;14-10-5-7(1-2-8(10)13(19)20)18-12-9-3-4-15-11(9)16-6-17-12;1-2-11-8(6-17-19-11)5-9(1)18-13-10-3-4-14-12(10)15-7-16-13;18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h5-9H,1-4H3,(H2,19,24)(H2,20,21,22,23);3-6,10,13H,7-9H2,1-2H3,(H2,19,20,21,22);1-6H,(H2,15,20)(H2,16,17,18,19);1-6H,(H,19,20)(H2,15,16,17,18);1-7H,(H,17,19)(H2,14,15,16,18);1-7H,(H,18,19)(H2,14,15,16,17)
InChIKeyFPLYMTOLAPWFJM-UHFFFAOYSA-N
MW1744.70 g/mol
LogP17.17
Rot. Bonds20

About 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid

2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid (PubChem CID 158102803) has the molecular formula C88H80Cl2N28O9 and a molecular weight of 1744.70 g/mol. Its IUPAC name is 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid
PubChem CID158102803
Molecular FormulaC88H80Cl2N28O9
Molecular Weight1744.70 g/mol
Exact Mass1742.60
IUPAC Name2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid
SMILESCc1[nH]c2ncnc(Nc3ccc(C(N)=O)cc3OC(C)C)c2c1C.Cc1[nH]c2ncnc(Nc3ccccc3OC3CCOC3)c2c1C.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1
InChIInChI=1S/C18H21N5O2.C18H20N4O2.C13H10ClN5O.C13H9ClN4O2.C13H10N6.C13H10N4O2/c1-9(2)25-14-7-12(16(19)24)5-6-13(14)23-18-15-10(3)11(4)22-17(15)20-8-21-18;1-11-12(2)21-17-16(11)18(20-10-19-17)22-14-5-3-4-6-15(14)24-13-7-8-23-9-13;14-10-5-7(1-2-8(10)11(15)20)19-13-9-3-4-16-12(9)17-6-18-13;14-10-5-7(1-2-8(10)13(19)20)18-12-9-3-4-15-11(9)16-6-17-12;1-2-11-8(6-17-19-11)5-9(1)18-13-10-3-4-14-12(10)15-7-16-13;18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h5-9H,1-4H3,(H2,19,24)(H2,20,21,22,23);3-6,10,13H,7-9H2,1-2H3,(H2,19,20,21,22);1-6H,(H2,15,20)(H2,16,17,18,19);1-6H,(H,19,20)(H2,15,16,17,18);1-7H,(H,17,19)(H2,14,15,16,18);1-7H,(H,18,19)(H2,14,15,16,17)
InChIKeyFPLYMTOLAPWFJM-UHFFFAOYSA-N
XLogP17.17
TPSA538.75 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.70
LogP ≤ 517.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Analyze 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid with MolForge

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Related Compounds

3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzoic acid;3-cyclopentyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(4-fluoro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 159546846
9-[4-[6-Carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,3-diethoxybutyl]-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide;9-[4-[6-carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,2,3,3-tetrafluorobutyl]-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide;9-[4-[6-carbamoyl-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,2,3,3-tetrafluorobutyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide
CID 167676801
9-[4-[6-Carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,2-difluorobutyl]-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide;9-[4-[6-carbamoyl-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,3-dihydroxybutyl]-4-chloro-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide;9-[4-[6-carbamoyl-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]-2,2-difluorobutyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide
CID 167696132
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157291462
N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 158034309
4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-cyclopentyloxy-N-(1-methylindazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(4-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-cyclopentyloxy-N-(6-methyl-1H-indazol-5-yl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 158173012
3-butan-2-yloxy-4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158212581
3-chloro-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-(1,4-dimethylindazol-5-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[5-(2-fluoro-6-methyl-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
CID 158762008
3-chloro-4-[[5-[3-[(1S)-1-hydroxyethyl]phenyl]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;3-chloro-4-[[5-[3-[(1R)-1-hydroxyethyl]phenyl]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylphenyl]-morpholin-4-ylmethanone;N-(1H-indazol-5-yl)-4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-N-[4-(2H-pyrrol-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 158981444
4-[[5-(6-ethoxy-3-pyridinyl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;N-(2-hydroxyethyl)-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 159051086
2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid
CID 159184263
4-[[5-(2-chloro-4-hydroxyphenyl)-4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;4-[4-cyclohexyloxy-2-[[3-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-ethyl-N-methylbenzamide
CID 159240769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid (CID 158102803) is 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid is Cc1[nH]c2ncnc(Nc3ccc(C(N)=O)cc3OC(C)C)c2c1C.Cc1[nH]c2ncnc(Nc3ccccc3OC3CCOC3)c2c1C.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1.
What is the InChIKey of 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid?
The InChIKey is FPLYMTOLAPWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.C18H20N4O2.C13H10ClN5O.C13H9ClN4O2.C13H10N6.C13H10N4O2/c1-9(2)25-14-7-12(16(19)24)5-6-13(14)23-18-15-10(3)11(4)22-17(15)20-8-21-18;1-11-12(2)21-17-16(11)18(20-10-19-17)22-14-5-3-4-6-15(14)24-13-7-8-23-9-13;14-10-5-7(1-2-8(10)11(15)20)19-13-9-3-4-16-12(9)17-6-18-13;14-10-5-7(1-2-8(10)13(19)20)18-12-9-3-4-15-11(9)16-6-17-12;1-2-11-8(6-17-19-11)5-9(1)18-13-10-3-4-14-12(10)15-7-16-13;18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h5-9H,1-4H3,(H2,19,24)(H2,20,21,22,23);3-6,10,13H,7-9H2,1-2H3,(H2,19,20,21,22);1-6H,(H2,15,20)(H2,16,17,18,19);1-6H,(H,19,20)(H2,15,16,17,18);1-7H,(H,17,19)(H2,14,15,16,18);1-7H,(H,18,19)(H2,14,15,16,17).
What are the key properties of 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid?
2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid has a molecular weight of 1744.70 g/mol, XLogP of 17.17, 20 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide;2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid;5,6-dimethyl-N-[2-(oxolan-3-yloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;N-(1H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoic acid is sourced from PubChem (CID 158102803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).