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

C138H150ClN23O15 — CID 159660021

IUPAC3-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
SMILESC.C.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C(=O)NC)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccn[nH]2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cn[nH]c2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5[nH]ccc5c4)c[nH]c3n2)c(OC)c1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc4c(c3)N=C(C)C4)c12.[H][H]
InChIInChI=1S/C31H33N3O4.C28H28N6O3.2C26H28N4O3.C25H23ClN6O2.2CH4.H2/c1-4-26(35)21-13-14-22(27(17-21)37-3)18-28-33-25-16-15-24(19-9-11-20(12-10-19)30(36)32-2)29(25)31(34-28)38-23-7-5-6-8-23;1-29-26(35)18-8-10-22(23(14-18)36-2)32-28-33-25-24(27(34-28)37-19-5-3-4-6-19)20(15-31-25)16-7-9-21-17(13-16)11-12-30-21;1-3-22(31)16-8-9-17(23(12-16)32-2)13-24-29-21-11-10-20(18-14-27-28-15-18)25(21)26(30-24)33-19-6-4-5-7-19;1-3-22(31)16-8-9-17(23(14-16)32-2)15-24-28-21-11-10-19(20-12-13-27-30-20)25(21)26(29-24)33-18-6-4-5-7-18;1-13-9-15-6-5-14(11-20(15)28-13)17-12-27-22-21(17)23(34-4)31-25(30-22)29-19-8-7-16(10-18(19)26)24(33)32(2)3;;;/h9-15,17,23H,4-8,16,18H2,1-3H3,(H,32,36);7-15,19,30H,3-6H2,1-2H3,(H,29,35)(H2,31,32,33,34);8-10,12,14-15,19H,3-7,11,13H2,1-2H3,(H,27,28);8-10,12-14,18H,3-7,11,15H2,1-2H3,(H,27,30);5-8,10-12H,9H2,1-4H3,(H2,27,29,30,31);2*1H4;1H
InChIKeyMSRHSVHWZRKZQZ-UHFFFAOYSA-N
MW2406.32 g/mol
LogP27.18
Rot. Bonds37

About 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

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 (PubChem CID 159660021) has the molecular formula C138H150ClN23O15 and a molecular weight of 2406.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159660021
Molecular FormulaC138H150ClN23O15
Molecular Weight2406.32 g/mol
Exact Mass2404.14
IUPAC Name3-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
SMILESC.C.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C(=O)NC)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccn[nH]2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cn[nH]c2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5[nH]ccc5c4)c[nH]c3n2)c(OC)c1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc4c(c3)N=C(C)C4)c12.[H][H]
InChIInChI=1S/C31H33N3O4.C28H28N6O3.2C26H28N4O3.C25H23ClN6O2.2CH4.H2/c1-4-26(35)21-13-14-22(27(17-21)37-3)18-28-33-25-16-15-24(19-9-11-20(12-10-19)30(36)32-2)29(25)31(34-28)38-23-7-5-6-8-23;1-29-26(35)18-8-10-22(23(14-18)36-2)32-28-33-25-24(27(34-28)37-19-5-3-4-6-19)20(15-31-25)16-7-9-21-17(13-16)11-12-30-21;1-3-22(31)16-8-9-17(23(12-16)32-2)13-24-29-21-11-10-20(18-14-27-28-15-18)25(21)26(30-24)33-19-6-4-5-7-19;1-3-22(31)16-8-9-17(23(14-16)32-2)15-24-28-21-11-10-19(20-12-13-27-30-20)25(21)26(29-24)33-18-6-4-5-7-18;1-13-9-15-6-5-14(11-20(15)28-13)17-12-27-22-21(17)23(34-4)31-25(30-22)29-19-8-7-16(10-18(19)26)24(33)32(2)3;;;/h9-15,17,23H,4-8,16,18H2,1-3H3,(H,32,36);7-15,19,30H,3-6H2,1-2H3,(H,29,35)(H2,31,32,33,34);8-10,12,14-15,19H,3-7,11,13H2,1-2H3,(H,27,28);8-10,12-14,18H,3-7,11,15H2,1-2H3,(H,27,30);5-8,10-12H,9H2,1-4H3,(H2,27,29,30,31);2*1H4;1H
InChIKeyMSRHSVHWZRKZQZ-UHFFFAOYSA-N
XLogP27.18
TPSA482.84 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002406.32
LogP ≤ 527.18
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

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
3-chloro-4-[[4-cyclopentyloxy-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-4-[[5-(4-hydroxyphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(methanesulfonamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157080092
4-[[5-(2-amino-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;N,3-dimethyl-4-[[4-(oxan-4-yloxy)-5-(3H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157126081
4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
CID 157191961
1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157219029
3-chloro-4-[[5-(4-hydroxyphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;4-[[5-(3-cyano-4-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(methanesulfonamido)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157228665
4-[[4-[(2S)-butan-2-yl]oxy-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methyl-1,2-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxybenzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157251874
N-[3-[[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-[(6-methoxy-3-pyridinyl)oxy]pyrimidin-4-yl]amino]phenyl]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[[6-(2-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]benzamide;4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-methyl-3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]benzamide;N-[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]cyclohexyl]-2-[3-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetamide;(E)-5-(dimethylamino)-1-[4-[2-[4-[[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]amino]phenyl]acetyl]phenyl]pent-3-en-2-one
CID 157257836
N-(1-acetylazetidin-3-yl)-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;4-[(4-cyclopentyloxy-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 157278196
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157338514
3-methoxy-4-[[4-methoxy-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxetan-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]benzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-4-pyridinyl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[4-(oxolan-3-yloxy)-5-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-2-yl]methyl]benzamide
CID 157383350
3-chloro-4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-4-[[4-methoxy-5-[4-(methylcarbamoyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157411526

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C(=O)NC)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccn[nH]2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cn[nH]c2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5[nH]ccc5c4)c[nH]c3n2)c(OC)c1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc4c(c3)N=C(C)C4)c12.[H][H].
What is the InChIKey of 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?
The InChIKey is MSRHSVHWZRKZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O4.C28H28N6O3.2C26H28N4O3.C25H23ClN6O2.2CH4.H2/c1-4-26(35)21-13-14-22(27(17-21)37-3)18-28-33-25-16-15-24(19-9-11-20(12-10-19)30(36)32-2)29(25)31(34-28)38-23-7-5-6-8-23;1-29-26(35)18-8-10-22(23(14-18)36-2)32-28-33-25-24(27(34-28)37-19-5-3-4-6-19)20(15-31-25)16-7-9-21-17(13-16)11-12-30-21;1-3-22(31)16-8-9-17(23(12-16)32-2)13-24-29-21-11-10-20(18-14-27-28-15-18)25(21)26(30-24)33-19-6-4-5-7-19;1-3-22(31)16-8-9-17(23(14-16)32-2)15-24-28-21-11-10-19(20-12-13-27-30-20)25(21)26(29-24)33-18-6-4-5-7-18;1-13-9-15-6-5-14(11-20(15)28-13)17-12-27-22-21(17)23(34-4)31-25(30-22)29-19-8-7-16(10-18(19)26)24(33)32(2)3;;;/h9-15,17,23H,4-8,16,18H2,1-3H3,(H,32,36);7-15,19,30H,3-6H2,1-2H3,(H,29,35)(H2,31,32,33,34);8-10,12,14-15,19H,3-7,11,13H2,1-2H3,(H,27,28);8-10,12-14,18H,3-7,11,15H2,1-2H3,(H,27,30);5-8,10-12H,9H2,1-4H3,(H2,27,29,30,31);2*1H4;1H.
What are the key properties of 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?
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 has a molecular weight of 2406.32 g/mol, XLogP of 27.18, 37 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159660021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).