4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one

C142H149ClN20O16 — CID 158377698

IUPAC4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
SMILESC=C(C)Nc1cccc(C2=CCc3nc(Cc4ccc(C(=O)CC)cc4OC)nc(OC4CCCC4)c32)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)c(C)c2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)nc2)=CC3)c(OC)c1.COc1cc(CN)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(O)cc3)c[nH]c2n1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc(C4=NN=CC4)cc3)c12
InChIInChI=1S/C32H35N3O3.C31H34N2O4.C29H31N3O4.C25H22ClN7O2.C25H27N5O3/c1-5-28(36)22-13-14-23(29(18-22)37-4)19-30-34-27-16-15-26(21-9-8-10-24(17-21)33-20(2)3)31(27)32(35-30)38-25-11-6-7-12-25;1-5-26(34)21-10-11-22(28(17-21)36-4)18-29-32-25-14-13-24(20-12-15-27(35-3)19(2)16-20)30(25)31(33-29)37-23-8-6-7-9-23;1-4-24(33)18-9-10-19(25(15-18)34-2)16-26-31-23-13-12-22(20-11-14-27(35-3)30-17-20)28(23)29(32-26)36-21-7-5-6-8-21;1-33(2)24(34)16-8-9-20(18(26)12-16)29-25-30-22-21(23(31-25)35-3)17(13-27-22)14-4-6-15(7-5-14)19-10-11-28-32-19;1-32-21-12-15(13-26)6-11-20(21)28-25-29-23-22(24(30-25)33-18-4-2-3-5-18)19(14-27-23)16-7-9-17(31)10-8-16/h8-10,13-15,17-18,25,33H,2,5-7,11-12,16,19H2,1,3-4H3;10-13,15-17,23H,5-9,14,18H2,1-4H3;9-12,14-15,17,21H,4-8,13,16H2,1-3H3;4-9,11-13H,10H2,1-3H3,(H2,27,29,30,31);6-12,14,18,31H,2-5,13,26H2,1H3,(H2,27,28,29,30)
InChIKeyGVKCTPUBQVGJBV-UHFFFAOYSA-N
MW2427.33 g/mol
LogP28.37
Rot. Bonds41

About 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one

4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one (PubChem CID 158377698) has the molecular formula C142H149ClN20O16 and a molecular weight of 2427.33 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
PubChem CID158377698
Molecular FormulaC142H149ClN20O16
Molecular Weight2427.33 g/mol
Exact Mass2425.11
IUPAC Name4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
SMILESC=C(C)Nc1cccc(C2=CCc3nc(Cc4ccc(C(=O)CC)cc4OC)nc(OC4CCCC4)c32)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)c(C)c2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)nc2)=CC3)c(OC)c1.COc1cc(CN)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(O)cc3)c[nH]c2n1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc(C4=NN=CC4)cc3)c12
InChIInChI=1S/C32H35N3O3.C31H34N2O4.C29H31N3O4.C25H22ClN7O2.C25H27N5O3/c1-5-28(36)22-13-14-23(29(18-22)37-4)19-30-34-27-16-15-26(21-9-8-10-24(17-21)33-20(2)3)31(27)32(35-30)38-25-11-6-7-12-25;1-5-26(34)21-10-11-22(28(17-21)36-4)18-29-32-25-14-13-24(20-12-15-27(35-3)19(2)16-20)30(25)31(33-29)37-23-8-6-7-9-23;1-4-24(33)18-9-10-19(25(15-18)34-2)16-26-31-23-13-12-22(20-11-14-27(35-3)30-17-20)28(23)29(32-26)36-21-7-5-6-8-21;1-33(2)24(34)16-8-9-20(18(26)12-16)29-25-30-22-21(23(31-25)35-3)17(13-27-22)14-4-6-15(7-5-14)19-10-11-28-32-19;1-32-21-12-15(13-26)6-11-20(21)28-25-29-23-22(24(30-25)33-18-4-2-3-5-18)19(14-27-23)16-7-9-17(31)10-8-16/h8-10,13-15,17-18,25,33H,2,5-7,11-12,16,19H2,1,3-4H3;10-13,15-17,23H,5-9,14,18H2,1-4H3;9-12,14-15,17,21H,4-8,13,16H2,1-3H3;4-9,11-13H,10H2,1-3H3,(H2,27,29,30,31);6-12,14,18,31H,2-5,13,26H2,1H3,(H2,27,28,29,30)
InChIKeyGVKCTPUBQVGJBV-UHFFFAOYSA-N
XLogP28.37
TPSA453.48 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002427.33
LogP ≤ 528.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one 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-[[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
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-[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
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 157791363
4-[[4-cyclopentyloxy-5-(4-fluorophenyl)-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]-N-methyl-3-propan-2-ylbenzamide;4-[(4-cyclopentyloxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 157815642
14-Chloro-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(dimethylamino)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-ethoxy-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-(2-ethoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;14-hydroxy-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione;14-(2-methoxyethoxy)-17,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;8-methylidene-14-(2-morpholin-4-ylethoxy)-19-azapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-10-one
CID 158096936
3-chloro-N,N-dimethyl-4-[[4-(methylamino)-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;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-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;[3-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 158110185

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?
The IUPAC name of 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one (CID 158377698) is 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one.
What is the SMILES notation for 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?
The canonical SMILES for 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one is C=C(C)Nc1cccc(C2=CCc3nc(Cc4ccc(C(=O)CC)cc4OC)nc(OC4CCCC4)c32)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)c(C)c2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)nc2)=CC3)c(OC)c1.COc1cc(CN)ccc1Nc1nc(OC2CCCC2)c2c(-c3ccc(O)cc3)c[nH]c2n1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2Cl)nc2[nH]cc(-c3ccc(C4=NN=CC4)cc3)c12.
What is the InChIKey of 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?
The InChIKey is GVKCTPUBQVGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3.C31H34N2O4.C29H31N3O4.C25H22ClN7O2.C25H27N5O3/c1-5-28(36)22-13-14-23(29(18-22)37-4)19-30-34-27-16-15-26(21-9-8-10-24(17-21)33-20(2)3)31(27)32(35-30)38-25-11-6-7-12-25;1-5-26(34)21-10-11-22(28(17-21)36-4)18-29-32-25-14-13-24(20-12-15-27(35-3)19(2)16-20)30(25)31(33-29)37-23-8-6-7-9-23;1-4-24(33)18-9-10-19(25(15-18)34-2)16-26-31-23-13-12-22(20-11-14-27(35-3)30-17-20)28(23)29(32-26)36-21-7-5-6-8-21;1-33(2)24(34)16-8-9-20(18(26)12-16)29-25-30-22-21(23(31-25)35-3)17(13-27-22)14-4-6-15(7-5-14)19-10-11-28-32-19;1-32-21-12-15(13-26)6-11-20(21)28-25-29-23-22(24(30-25)33-18-4-2-3-5-18)19(14-27-23)16-7-9-17(31)10-8-16/h8-10,13-15,17-18,25,33H,2,5-7,11-12,16,19H2,1,3-4H3;10-13,15-17,23H,5-9,14,18H2,1-4H3;9-12,14-15,17,21H,4-8,13,16H2,1-3H3;4-9,11-13H,10H2,1-3H3,(H2,27,29,30,31);6-12,14,18,31H,2-5,13,26H2,1H3,(H2,27,28,29,30).
What are the key properties of 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one?
4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one has a molecular weight of 2427.33 g/mol, XLogP of 28.37, 41 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)-2-methoxyanilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol;3-chloro-4-[[4-methoxy-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;1-[4-[[4-cyclopentyloxy-5-(4-methoxy-3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-[3-(prop-1-en-2-ylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one is sourced from PubChem (CID 158377698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).