7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C110H106F2N24O6 — CID 167665621

IUPAC7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(C)(F)F)n(C)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(N4CCOCC4)n(C)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nccn4ccnc34)cc1)C(=O)C2.Cc1coc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n1
InChIInChI=1S/C29H31N7O2.C28H24N6O.C27H26F2N6O.C26H25N5O2/c1-19(2)23-6-4-5-7-24(23)27-30-17-22-16-25(37)36(28(22)31-27)18-20-8-10-21(11-9-20)26-32-29(34(3)33-26)35-12-14-38-15-13-35;1-18(2)22-5-3-4-6-23(22)26-31-16-21-15-24(35)34(27(21)32-26)17-19-7-9-20(10-8-19)25-28-30-12-14-33(28)13-11-29-25;1-16(2)20-7-5-6-8-21(20)24-30-14-19-13-22(36)35(25(19)31-24)15-17-9-11-18(12-10-17)23-32-26(27(3,28)29)34(4)33-23;1-16(2)20-7-5-6-8-21(20)23-27-13-22-24(29-23)31(26(32)30(22)4)14-18-9-11-19(12-10-18)25-28-17(3)15-33-25/h4-11,17,19H,12-16,18H2,1-3H3;3-14,16,18H,15,17H2,1-2H3;5-12,14,16H,13,15H2,1-4H3;5-13,15-16H,14H2,1-4H3
InChIKeySPCHTWGJVCWGOG-UHFFFAOYSA-N
MW1898.22 g/mol
LogP19.25
Rot. Bonds22

About 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167665621) has the molecular formula C110H106F2N24O6 and a molecular weight of 1898.22 g/mol. Its IUPAC name is 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID167665621
Molecular FormulaC110H106F2N24O6
Molecular Weight1898.22 g/mol
Exact Mass1896.87
IUPAC Name7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(C)(F)F)n(C)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(N4CCOCC4)n(C)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nccn4ccnc34)cc1)C(=O)C2.Cc1coc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n1
InChIInChI=1S/C29H31N7O2.C28H24N6O.C27H26F2N6O.C26H25N5O2/c1-19(2)23-6-4-5-7-24(23)27-30-17-22-16-25(37)36(28(22)31-27)18-20-8-10-21(11-9-20)26-32-29(34(3)33-26)35-12-14-38-15-13-35;1-18(2)22-5-3-4-6-23(22)26-31-16-21-15-24(35)34(27(21)32-26)17-19-7-9-20(10-8-19)25-28-30-12-14-33(28)13-11-29-25;1-16(2)20-7-5-6-8-21(20)24-30-14-19-13-22(36)35(25(19)31-24)15-17-9-11-18(12-10-17)23-32-26(27(3,28)29)34(4)33-23;1-16(2)20-7-5-6-8-21(20)23-27-13-22-24(29-23)31(26(32)30(22)4)14-18-9-11-19(12-10-18)25-28-17(3)15-33-25/h4-11,17,19H,12-16,18H2,1-3H3;3-14,16,18H,15,17H2,1-2H3;5-12,14,16H,13,15H2,1-4H3;5-13,15-16H,14H2,1-4H3
InChIKeySPCHTWGJVCWGOG-UHFFFAOYSA-N
XLogP19.25
TPSA321.09 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.22
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

2-[4-[1-[6-[7-[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-[4-(triazol-2-yl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]phenyl]-5-methyl-1,3-oxazole
CID 153629252
2-[[3-(Difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 155472889
7-Amino-4-[5-[2-[3-[4-[2-[7-amino-11-(methylcarbamoyl)-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]-4-fluorophenyl]-1,3-oxazol-4-yl]-2-pyridinyl]-10-[2-[4-[2-fluoro-5-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579735
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
CID 157119212
CID 157119212
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157163912
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157288069
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]purin-8-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157371199
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methylphenyl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157614925
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157638254

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167665621) is 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(C)(F)F)n(C)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(N4CCOCC4)n(C)n3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nccn4ccnc34)cc1)C(=O)C2.Cc1coc(-c2ccc(Cn3c(=O)n(C)c4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.
What is the InChIKey of 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SPCHTWGJVCWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2.C28H24N6O.C27H26F2N6O.C26H25N5O2/c1-19(2)23-6-4-5-7-24(23)27-30-17-22-16-25(37)36(28(22)31-27)18-20-8-10-21(11-9-20)26-32-29(34(3)33-26)35-12-14-38-15-13-35;1-18(2)22-5-3-4-6-23(22)26-31-16-21-15-24(35)34(27(21)32-26)17-19-7-9-20(10-8-19)25-28-30-12-14-33(28)13-11-29-25;1-16(2)20-7-5-6-8-21(20)24-30-14-19-13-22(36)35(25(19)31-24)15-17-9-11-18(12-10-17)23-32-26(27(3,28)29)34(4)33-23;1-16(2)20-7-5-6-8-21(20)23-27-13-22-24(29-23)31(26(32)30(22)4)14-18-9-11-19(12-10-18)25-28-17(3)15-33-25/h4-11,17,19H,12-16,18H2,1-3H3;3-14,16,18H,15,17H2,1-2H3;5-12,14,16H,13,15H2,1-4H3;5-13,15-16H,14H2,1-4H3.
What are the key properties of 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1898.22 g/mol, XLogP of 19.25, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[5-(1,1-difluoroethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 167665621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).