7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide

C150H159N33O10 — CID 157205677

IUPAC7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide
SMILESCC(=O)N1CCC(c2cn(C)c(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)CC1.CC(=O)N1CCCC(c2ccn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)C1.Cc1cc(C(=O)N(C)c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n(C)n1.Cc1cc(C(=O)N(C)c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n[nH]1.Cc1cc(C(=O)Nc2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n(C)n1
InChIInChI=1S/C33H36N6O2.C32H34N6O2.C29H31N7O2.2C28H29N7O2/c1-21(2)27-7-5-6-8-28(27)31-34-18-26-17-30(41)39(33(26)36-31)19-23-9-11-25(12-10-23)32-35-29(20-37(32)4)24-13-15-38(16-14-24)22(3)40;1-21(2)27-8-4-5-9-28(27)31-33-18-25-17-30(40)37(32(25)34-31)19-23-10-12-26(13-11-23)38-16-14-29(35-38)24-7-6-15-36(20-24)22(3)39;1-18(2)22-9-7-8-10-23(22)26-30-16-25-27(31-26)36(29(38)34(25)5)17-20-11-13-21(14-12-20)33(4)28(37)24-15-19(3)32-35(24)6;1-17(2)21-8-6-7-9-22(21)25-29-15-24-26(30-25)35(28(37)34(24)5)16-19-10-12-20(13-11-19)33(4)27(36)23-14-18(3)31-32-23;1-17(2)21-8-6-7-9-22(21)25-29-15-24-26(31-25)35(28(37)33(24)4)16-19-10-12-20(13-11-19)30-27(36)23-14-18(3)32-34(23)5/h5-12,18,20-21,24H,13-17,19H2,1-4H3;4-5,8-14,16,18,21,24H,6-7,15,17,19-20H2,1-3H3;7-16,18H,17H2,1-6H3;6-15,17H,16H2,1-5H3,(H,31,32);6-15,17H,16H2,1-5H3,(H,30,36)
InChIKeyARICTWWCORPNAD-UHFFFAOYSA-N
MW2584.14 g/mol
LogP23.58
Rot. Bonds30

About 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide

7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 157205677) has the molecular formula C150H159N33O10 and a molecular weight of 2584.14 g/mol. Its IUPAC name is 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide
PubChem CID157205677
Molecular FormulaC150H159N33O10
Molecular Weight2584.14 g/mol
Exact Mass2582.29
IUPAC Name7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide
SMILESCC(=O)N1CCC(c2cn(C)c(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)CC1.CC(=O)N1CCCC(c2ccn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)C1.Cc1cc(C(=O)N(C)c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n(C)n1.Cc1cc(C(=O)N(C)c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n[nH]1.Cc1cc(C(=O)Nc2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n(C)n1
InChIInChI=1S/C33H36N6O2.C32H34N6O2.C29H31N7O2.2C28H29N7O2/c1-21(2)27-7-5-6-8-28(27)31-34-18-26-17-30(41)39(33(26)36-31)19-23-9-11-25(12-10-23)32-35-29(20-37(32)4)24-13-15-38(16-14-24)22(3)40;1-21(2)27-8-4-5-9-28(27)31-33-18-25-17-30(40)37(32(25)34-31)19-23-10-12-26(13-11-23)38-16-14-29(35-38)24-7-6-15-36(20-24)22(3)39;1-18(2)22-9-7-8-10-23(22)26-30-16-25-27(31-26)36(29(38)34(25)5)17-20-11-13-21(14-12-20)33(4)28(37)24-15-19(3)32-35(24)6;1-17(2)21-8-6-7-9-22(21)25-29-15-24-26(30-25)35(28(37)34(24)5)16-19-10-12-20(13-11-19)33(4)27(36)23-14-18(3)31-32-23;1-17(2)21-8-6-7-9-22(21)25-29-15-24-26(31-25)35(28(37)33(24)4)16-19-10-12-20(13-11-19)30-27(36)23-14-18(3)32-34(23)5/h5-12,18,20-21,24H,13-17,19H2,1-4H3;4-5,8-14,16,18,21,24H,6-7,15,17,19-20H2,1-3H3;7-16,18H,17H2,1-6H3;6-15,17H,16H2,1-5H3,(H,31,32);6-15,17H,16H2,1-5H3,(H,30,36)
InChIKeyARICTWWCORPNAD-UHFFFAOYSA-N
XLogP23.58
TPSA460.61 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002584.14
LogP ≤ 523.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442557
5-[4-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172468396
N-[4-[[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177641549
N-[4-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177642042
N-[4-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 177645031
5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387712
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145033350
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
N-[5-[6-fluoro-7-[4-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034654
N-[5-[6-fluoro-7-[2-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034805

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide (CID 157205677) is 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide is CC(=O)N1CCC(c2cn(C)c(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)CC1.CC(=O)N1CCCC(c2ccn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)C1.Cc1cc(C(=O)N(C)c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n(C)n1.Cc1cc(C(=O)N(C)c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n[nH]1.Cc1cc(C(=O)Nc2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n(C)n1.
What is the InChIKey of 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is ARICTWWCORPNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O2.C32H34N6O2.C29H31N7O2.2C28H29N7O2/c1-21(2)27-7-5-6-8-28(27)31-34-18-26-17-30(41)39(33(26)36-31)19-23-9-11-25(12-10-23)32-35-29(20-37(32)4)24-13-15-38(16-14-24)22(3)40;1-21(2)27-8-4-5-9-28(27)31-33-18-25-17-30(40)37(32(25)34-31)19-23-10-12-26(13-11-23)38-16-14-29(35-38)24-7-6-15-36(20-24)22(3)39;1-18(2)22-9-7-8-10-23(22)26-30-16-25-27(31-26)36(29(38)34(25)5)17-20-11-13-21(14-12-20)33(4)28(37)24-15-19(3)32-35(24)6;1-17(2)21-8-6-7-9-22(21)25-29-15-24-26(30-25)35(28(37)34(24)5)16-19-10-12-20(13-11-19)33(4)27(36)23-14-18(3)31-32-23;1-17(2)21-8-6-7-9-22(21)25-29-15-24-26(31-25)35(28(37)33(24)4)16-19-10-12-20(13-11-19)30-27(36)23-14-18(3)32-34(23)5/h5-12,18,20-21,24H,13-17,19H2,1-4H3;4-5,8-14,16,18,21,24H,6-7,15,17,19-20H2,1-3H3;7-16,18H,17H2,1-6H3;6-15,17H,16H2,1-5H3,(H,31,32);6-15,17H,16H2,1-5H3,(H,30,36).
What are the key properties of 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide?
7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 2584.14 g/mol, XLogP of 23.58, 30 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-(1-acetylpiperidin-4-yl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-3-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide;N,5-dimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]-1H-pyrazole-3-carboxamide;N,2,5-trimethyl-N-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 157205677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).