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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide

C138H141ClN30O16 — CID 158746637

IUPAC4-[[5-(3-chloro-4-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
SMILESCCc1cccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC4CCCC4)c23)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(C5=NN=CC5)cc4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(O)c(Cl)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(c4)CN=C5)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(c4)CN=N5)c[nH]c3n2)c(OC)c1
InChIInChI=1S/C29H29N7O3.C28H28N6O3.C28H31N5O3.C27H27N7O3.C26H26ClN5O4/c1-30-27(37)19-11-12-23(24(15-19)38-2)33-29-34-26-25(28(35-29)39-20-5-3-4-6-20)21(16-31-26)17-7-9-18(10-8-17)22-13-14-32-36-22;1-29-26(35)17-9-10-22(23(12-17)36-2)32-28-33-25-24(27(34-28)37-20-5-3-4-6-20)21(15-31-25)16-7-8-18-13-30-14-19(18)11-16;1-4-17-8-7-9-18(14-17)21-16-30-25-24(21)27(36-20-10-5-6-11-20)33-28(32-25)31-22-13-12-19(26(34)29-2)15-23(22)35-3;1-28-25(35)16-8-10-21(22(12-16)36-2)31-27-32-24-23(26(33-27)37-18-5-3-4-6-18)19(14-29-24)15-7-9-20-17(11-15)13-30-34-20;1-28-24(34)15-7-9-19(21(12-15)35-2)30-26-31-23-22(25(32-26)36-16-5-3-4-6-16)17(13-29-23)14-8-10-20(33)18(27)11-14/h7-12,14-16,20H,3-6,13H2,1-2H3,(H,30,37)(H2,31,33,34,35);7-13,15,20H,3-6,14H2,1-2H3,(H,29,35)(H2,31,32,33,34);7-9,12-16,20H,4-6,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33);7-12,14,18H,3-6,13H2,1-2H3,(H,28,35)(H2,29,31,32,33);7-13,16,33H,3-6H2,1-2H3,(H,28,34)(H2,29,30,31,32)
InChIKeyIMYUXUNBQKQLLL-UHFFFAOYSA-N
MW2511.29 g/mol
LogP26.92
Rot. Bonds37

About 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide

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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide (PubChem CID 158746637) has the molecular formula C138H141ClN30O16 and a molecular weight of 2511.29 g/mol. Its IUPAC name is 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-(3-chloro-4-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
PubChem CID158746637
Molecular FormulaC138H141ClN30O16
Molecular Weight2511.29 g/mol
Exact Mass2509.08
IUPAC Name4-[[5-(3-chloro-4-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
SMILESCCc1cccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC4CCCC4)c23)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(C5=NN=CC5)cc4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(O)c(Cl)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(c4)CN=C5)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(c4)CN=N5)c[nH]c3n2)c(OC)c1
InChIInChI=1S/C29H29N7O3.C28H28N6O3.C28H31N5O3.C27H27N7O3.C26H26ClN5O4/c1-30-27(37)19-11-12-23(24(15-19)38-2)33-29-34-26-25(28(35-29)39-20-5-3-4-6-20)21(16-31-26)17-7-9-18(10-8-17)22-13-14-32-36-22;1-29-26(35)17-9-10-22(23(12-17)36-2)32-28-33-25-24(27(34-28)37-20-5-3-4-6-20)21(15-31-25)16-7-8-18-13-30-14-19(18)11-16;1-4-17-8-7-9-18(14-17)21-16-30-25-24(21)27(36-20-10-5-6-11-20)33-28(32-25)31-22-13-12-19(26(34)29-2)15-23(22)35-3;1-28-25(35)16-8-10-21(22(12-16)36-2)31-27-32-24-23(26(33-27)37-18-5-3-4-6-18)19(14-29-24)15-7-9-20-17(11-15)13-30-34-20;1-28-24(34)15-7-9-19(21(12-15)35-2)30-26-31-23-22(25(32-26)36-16-5-3-4-6-16)17(13-29-23)14-8-10-20(33)18(27)11-14/h7-12,14-16,20H,3-6,13H2,1-2H3,(H,30,37)(H2,31,33,34,35);7-13,15,20H,3-6,14H2,1-2H3,(H,29,35)(H2,31,32,33,34);7-9,12-16,20H,4-6,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33);7-12,14,18H,3-6,13H2,1-2H3,(H,28,35)(H2,29,31,32,33);7-13,16,33H,3-6H2,1-2H3,(H,28,34)(H2,29,30,31,32)
InChIKeyIMYUXUNBQKQLLL-UHFFFAOYSA-N
XLogP26.92
TPSA587.83 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002511.29
LogP ≤ 526.92
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Analyze 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide with MolForge

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Related Compounds

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-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
4-[[4-(cyclopentylamino)-5-(4-hydroxyphenyl)-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-fluoro-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157194322
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
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
N,3-dimethyl-4-[[5-(1-methylpyrrol-3-yl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-methoxy-5-(2-methyl-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157428779
N,3-dimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,3-dimethyl-4-[[5-[3-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2-oxo-1H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157435782
4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157484244
4-[[5-(2-amino-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;N,3-dimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]benzamide;N,3-dimethyl-4-[[5-[3-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 157520290
4-[[5-[4-(carbamoylamino)phenyl]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-(cyclohexylamino)-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-5-yl)-7H-cyclopenta[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-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157555645
3-chloro-N-methyl-4-[[5-(4-methylphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;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-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157586562

Frequently Asked Questions

What is the IUPAC name of 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
The IUPAC name of 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide (CID 158746637) is 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide is CCc1cccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC4CCCC4)c23)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(C5=NN=CC5)cc4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(O)c(Cl)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(c4)CN=C5)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(c4)CN=N5)c[nH]c3n2)c(OC)c1.
What is the InChIKey of 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
The InChIKey is IMYUXUNBQKQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3.C28H28N6O3.C28H31N5O3.C27H27N7O3.C26H26ClN5O4/c1-30-27(37)19-11-12-23(24(15-19)38-2)33-29-34-26-25(28(35-29)39-20-5-3-4-6-20)21(16-31-26)17-7-9-18(10-8-17)22-13-14-32-36-22;1-29-26(35)17-9-10-22(23(12-17)36-2)32-28-33-25-24(27(34-28)37-20-5-3-4-6-20)21(15-31-25)16-7-8-18-13-30-14-19(18)11-16;1-4-17-8-7-9-18(14-17)21-16-30-25-24(21)27(36-20-10-5-6-11-20)33-28(32-25)31-22-13-12-19(26(34)29-2)15-23(22)35-3;1-28-25(35)16-8-10-21(22(12-16)36-2)31-27-32-24-23(26(33-27)37-18-5-3-4-6-18)19(14-29-24)15-7-9-20-17(11-15)13-30-34-20;1-28-24(34)15-7-9-19(21(12-15)35-2)30-26-31-23-22(25(32-26)36-16-5-3-4-6-16)17(13-29-23)14-8-10-20(33)18(27)11-14/h7-12,14-16,20H,3-6,13H2,1-2H3,(H,30,37)(H2,31,33,34,35);7-13,15,20H,3-6,14H2,1-2H3,(H,29,35)(H2,31,32,33,34);7-9,12-16,20H,4-6,10-11H2,1-3H3,(H,29,34)(H2,30,31,32,33);7-12,14,18H,3-6,13H2,1-2H3,(H,28,35)(H2,29,31,32,33);7-13,16,33H,3-6H2,1-2H3,(H,28,34)(H2,29,30,31,32).
What are the key properties of 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide has a molecular weight of 2511.29 g/mol, XLogP of 26.92, 37 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-ethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-indazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 158746637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).