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

C109H94Cl2N36O9 — CID 159184263

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;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
SMILESCCOc1ccccc1Nc1ncnc2[nH]ccc12.Cc1[nH]c2ncnc(Nc3ccccc3OC3CCOC3)c2c1C.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.c1ccc(Nc2ncnc3[nH]ccc23)cc1.c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1
InChIInChI=1S/C18H20N4O2.C14H14N4O.C13H10ClN5O.C13H9ClN4O2.C13H10N6.C13H11N5O.C13H10N4O2.C12H10N4/c1-11-12(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;1-2-19-12-6-4-3-5-11(12)18-14-10-7-8-15-13(10)16-9-17-14;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;14-11(19)8-1-3-9(4-2-8)18-13-10-5-6-15-12(10)16-7-17-13;18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12;1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h3-6,10,13H,7-9H2,1-2H3,(H2,19,20,21,22);3-9H,2H2,1H3,(H2,15,16,17,18);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,(H2,14,19)(H2,15,16,17,18);1-7H,(H,18,19)(H2,14,15,16,17);1-8H,(H2,13,14,15,16)
InChIKeyKNGZPDYAXPTKQY-UHFFFAOYSA-N
MW2123.10 g/mol
LogP21.57
Rot. Bonds24

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;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

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 (PubChem CID 159184263) has the molecular formula C109H94Cl2N36O9 and a molecular weight of 2123.10 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;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.

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;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
PubChem CID159184263
Molecular FormulaC109H94Cl2N36O9
Molecular Weight2123.10 g/mol
Exact Mass2120.74
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;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
SMILESCCOc1ccccc1Nc1ncnc2[nH]ccc12.Cc1[nH]c2ncnc(Nc3ccccc3OC3CCOC3)c2c1C.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.c1ccc(Nc2ncnc3[nH]ccc23)cc1.c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1
InChIInChI=1S/C18H20N4O2.C14H14N4O.C13H10ClN5O.C13H9ClN4O2.C13H10N6.C13H11N5O.C13H10N4O2.C12H10N4/c1-11-12(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;1-2-19-12-6-4-3-5-11(12)18-14-10-7-8-15-13(10)16-9-17-14;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;14-11(19)8-1-3-9(4-2-8)18-13-10-5-6-15-12(10)16-7-17-13;18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12;1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h3-6,10,13H,7-9H2,1-2H3,(H2,19,20,21,22);3-9H,2H2,1H3,(H2,15,16,17,18);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,(H2,14,19)(H2,15,16,17,18);1-7H,(H,18,19)(H2,14,15,16,17);1-8H,(H2,13,14,15,16)
InChIKeyKNGZPDYAXPTKQY-UHFFFAOYSA-N
XLogP21.57
TPSA645.95 Ų
H-Bond Donors21
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002123.10
LogP ≤ 521.57
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1032

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;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 with MolForge

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Related Compounds

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
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
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-[[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-(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
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]-3-methoxy-N,N-dimethylbenzamide;4-[[5-(2-fluoro-6-methyl-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
CID 159454254
4-[[5-(3-chloro-4-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(4-methyl-1H-indazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;4-[4-cyclopentyloxy-2-[(6-methyl-1H-indazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 159466746
3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N-methylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;methane;molecular hydrogen
CID 159660021
4-[[5-(2-chloro-4-hydroxyphenyl)-4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;4-cyclohexyloxy-5-(4-methylphenyl)-2-[[3-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidine;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 159683138
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;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(1-methylpyrrol-3-yl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 159782634
3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
CID 159840420

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;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?
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;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) 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;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.
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;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?
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;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 is CCOc1ccccc1Nc1ncnc2[nH]ccc12.Cc1[nH]c2ncnc(Nc3ccccc3OC3CCOC3)c2c1C.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.NC(=O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1.O=C(O)c1ccc(Nc2ncnc3[nH]ccc23)cc1Cl.c1ccc(Nc2ncnc3[nH]ccc23)cc1.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;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?
The InChIKey is KNGZPDYAXPTKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.C14H14N4O.C13H10ClN5O.C13H9ClN4O2.C13H10N6.C13H11N5O.C13H10N4O2.C12H10N4/c1-11-12(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;1-2-19-12-6-4-3-5-11(12)18-14-10-7-8-15-13(10)16-9-17-14;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;14-11(19)8-1-3-9(4-2-8)18-13-10-5-6-15-12(10)16-7-17-13;18-13(19)8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12;1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h3-6,10,13H,7-9H2,1-2H3,(H2,19,20,21,22);3-9H,2H2,1H3,(H2,15,16,17,18);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,(H2,14,19)(H2,15,16,17,18);1-7H,(H,18,19)(H2,14,15,16,17);1-8H,(H2,13,14,15,16).
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;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?
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 has a molecular weight of 2123.10 g/mol, XLogP of 21.57, 24 rotatable bonds, 21 hydrogen bond donors, and 32 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;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 is sourced from PubChem (CID 159184263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).