1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one

C117H116Cl5F3N18O7 — CID 158590793

IUPAC1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)C(F)(F)F)CC2.CC(C)C(=O)Cc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2.CCCCC(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2.Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2.O=C(Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2)C1CCCCC1
InChIInChI=1S/C27H29ClN4O.C25H25ClN4O2.C25H24ClN3O2.C20H19ClF3N3O2.C20H19ClN4/c28-23-14-8-7-13-21(23)25-22-18-32(17-19-9-3-1-4-10-19)16-15-24(22)29-27(30-25)31-26(33)20-11-5-2-6-12-20;1-2-3-13-22(31)28-25-27-21-14-15-30(24(32)17-9-5-4-6-10-17)16-19(21)23(29-25)18-11-7-8-12-20(18)26;1-16(2)22(30)14-23-27-21-12-13-29(25(31)17-8-4-3-5-9-17)15-19(21)24(28-23)18-10-6-7-11-20(18)26;1-11(2)16(28)9-17-25-15-7-8-27(19(29)20(22,23)24)10-13(15)18(26-17)12-5-3-4-6-14(12)21;21-17-9-5-4-8-15(17)19-16-13-25(12-14-6-2-1-3-7-14)11-10-18(16)23-20(22)24-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,29,30,31,33);4-12H,2-3,13-16H2,1H3,(H,27,28,29,31);3-11,16H,12-15H2,1-2H3;3-6,11H,7-10H2,1-2H3;1-9H,10-13H2,(H2,22,23,24)
InChIKeyHUKMXXAXPCPIDW-UHFFFAOYSA-N
MW2120.59 g/mol
LogP23.71
Rot. Bonds23

About 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one

1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one (PubChem CID 158590793) has the molecular formula C117H116Cl5F3N18O7 and a molecular weight of 2120.59 g/mol. Its IUPAC name is 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one
PubChem CID158590793
Molecular FormulaC117H116Cl5F3N18O7
Molecular Weight2120.59 g/mol
Exact Mass2116.77
IUPAC Name1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)Cc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)C(F)(F)F)CC2.CC(C)C(=O)Cc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2.CCCCC(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2.Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2.O=C(Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2)C1CCCCC1
InChIInChI=1S/C27H29ClN4O.C25H25ClN4O2.C25H24ClN3O2.C20H19ClF3N3O2.C20H19ClN4/c28-23-14-8-7-13-21(23)25-22-18-32(17-19-9-3-1-4-10-19)16-15-24(22)29-27(30-25)31-26(33)20-11-5-2-6-12-20;1-2-3-13-22(31)28-25-27-21-14-15-30(24(32)17-9-5-4-6-10-17)16-19(21)23(29-25)18-11-7-8-12-20(18)26;1-16(2)22(30)14-23-27-21-12-13-29(25(31)17-8-4-3-5-9-17)15-19(21)24(28-23)18-10-6-7-11-20(18)26;1-11(2)16(28)9-17-25-15-7-8-27(19(29)20(22,23)24)10-13(15)18(26-17)12-5-3-4-6-14(12)21;21-17-9-5-4-8-15(17)19-16-13-25(12-14-6-2-1-3-7-14)11-10-18(16)23-20(22)24-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,29,30,31,33);4-12H,2-3,13-16H2,1H3,(H,27,28,29,31);3-11,16H,12-15H2,1-2H3;3-6,11H,7-10H2,1-2H3;1-9H,10-13H2,(H2,22,23,24)
InChIKeyHUKMXXAXPCPIDW-UHFFFAOYSA-N
XLogP23.71
TPSA314.67 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002120.59
LogP ≤ 523.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one with MolForge

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Related Compounds

N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]formamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methylpropanamide;2-methylpropane
CID 144081004
2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methylphenyl)acetamide;6-(2-chloro-6-methyl-4-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-2-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-4-one
CID 157315532
8-chloro-3-[(1S)-1-[[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;bis(8-chloro-3-[(1S)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one);8-chloro-3-[(1S)-1-[(2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one;methane
CID 158187992
8-chloro-3-[(1R)-1-[[2-(cyclopropylmethyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2,5-dimethylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[(2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-phenylisoquinolin-1-one
CID 160692904
3-[(1S)-1-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one;2-amino-4-[[(1S)-1-(8-chloro-2-cyclopropyl-1-oxoisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-methylpyrimidin-4-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one;8-chloro-2-cyclopropyl-3-[(1S)-1-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]isoquinolin-1-one;methane
CID 160954569
(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-7-methylidene-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-7-methylidene-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(6S)-6-methyl-7-methylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[(6R)-6-methyl-7-methylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 165103557
(2-chloro-4-fluorophenyl)-[(1S,9R)-6-(4-fluorophenyl)-4-methyl-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[(1S,9R)-6-(4-fluorophenyl)-4-methyl-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]methanone;(2,4-dichlorophenyl)-[(1S,9R)-6-(4-fluorophenyl)-4-methyl-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]methanone;[(1S,9R)-6-(4-fluorophenyl)-4-methyl-3,5,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 173730689
N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methylpropanamide
CID 49787429
N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide
CID 49787466
6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 157548995
6-[2-Chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[3-fluoro-4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-5-pyridin-2-ylphenyl)-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-5-pyrimidin-2-ylphenyl)-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157563243
2-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1-(2,3-dichlorophenyl)ethanone;1-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]hexan-2-one;1-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;1-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentan-2-one;2-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1-phenylethanone;1-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]propan-2-one
CID 157844370

Frequently Asked Questions

What is the IUPAC name of 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one (CID 158590793) is 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one is CC(C)C(=O)Cc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)C(F)(F)F)CC2.CC(C)C(=O)Cc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2.CCCCC(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)c1ccccc1)CC2.Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2.O=C(Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2)C1CCCCC1.
What is the InChIKey of 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one?
The InChIKey is HUKMXXAXPCPIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O.C25H25ClN4O2.C25H24ClN3O2.C20H19ClF3N3O2.C20H19ClN4/c28-23-14-8-7-13-21(23)25-22-18-32(17-19-9-3-1-4-10-19)16-15-24(22)29-27(30-25)31-26(33)20-11-5-2-6-12-20;1-2-3-13-22(31)28-25-27-21-14-15-30(24(32)17-9-5-4-6-10-17)16-19(21)23(29-25)18-11-7-8-12-20(18)26;1-16(2)22(30)14-23-27-21-12-13-29(25(31)17-8-4-3-5-9-17)15-19(21)24(28-23)18-10-6-7-11-20(18)26;1-11(2)16(28)9-17-25-15-7-8-27(19(29)20(22,23)24)10-13(15)18(26-17)12-5-3-4-6-14(12)21;21-17-9-5-4-8-15(17)19-16-13-25(12-14-6-2-1-3-7-14)11-10-18(16)23-20(22)24-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2,(H,29,30,31,33);4-12H,2-3,13-16H2,1H3,(H,27,28,29,31);3-11,16H,12-15H2,1-2H3;3-6,11H,7-10H2,1-2H3;1-9H,10-13H2,(H2,22,23,24).
What are the key properties of 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one?
1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one has a molecular weight of 2120.59 g/mol, XLogP of 23.71, 23 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one;N-[6-benzoyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pentanamide;6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[6-benzyl-4-(2-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]cyclohexanecarboxamide;1-[4-(2-chlorophenyl)-6-(2,2,2-trifluoroacetyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylbutan-2-one is sourced from PubChem (CID 158590793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).