6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C100H124N24O5 — CID 158715182

IUPAC6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCN(C)C6)cc5)nc4n(CCN(C)C)c3=O)cc2)C1.CN1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCCC3)c2=O)CC1.CN1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
InChIInChI=1S/C34H42N8O2.C34H41N7O2.C32H41N9O/c1-23(43)41-16-13-26(21-41)24-5-7-25(8-6-24)31-19-27-20-35-34(38-32(27)42(33(31)44)18-17-39(2)3)37-29-11-9-28(10-12-29)36-30-14-15-40(4)22-30;1-40-18-5-4-8-31(40)29-7-3-2-6-28(29)30-20-23-21-36-34(39-32(23)41(33(30)42)27-15-19-43-22-27)38-25-11-9-24(10-12-25)37-26-13-16-35-17-14-26;1-39-16-12-26(13-17-39)40-18-15-34-30(40)28-19-22-20-35-32(38-29(22)41(31(28)42)27-6-2-3-7-27)37-24-10-8-23(9-11-24)36-25-5-4-14-33-21-25/h5-12,19-20,26,30,36H,13-18,21-22H2,1-4H3,(H,35,37,38);2-3,6-7,9-12,20-21,26-27,31,35,37H,4-5,8,13-19,22H2,1H3,(H,36,38,39);8-11,15,18-20,25-27,33,36H,2-7,12-14,16-17,21H2,1H3,(H,35,37,38)
InChIKeyIJFKBZCIZDMHMQ-UHFFFAOYSA-N
MW1742.25 g/mol
LogP14.64
Rot. Bonds23

About 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158715182) has the molecular formula C100H124N24O5 and a molecular weight of 1742.25 g/mol. Its IUPAC name is 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158715182
Molecular FormulaC100H124N24O5
Molecular Weight1742.25 g/mol
Exact Mass1741.02
IUPAC Name6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCN(C)C6)cc5)nc4n(CCN(C)C)c3=O)cc2)C1.CN1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCCC3)c2=O)CC1.CN1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O
InChIInChI=1S/C34H42N8O2.C34H41N7O2.C32H41N9O/c1-23(43)41-16-13-26(21-41)24-5-7-25(8-6-24)31-19-27-20-35-34(38-32(27)42(33(31)44)18-17-39(2)3)37-29-11-9-28(10-12-29)36-30-14-15-40(4)22-30;1-40-18-5-4-8-31(40)29-7-3-2-6-28(29)30-20-23-21-36-34(39-32(23)41(33(30)42)27-15-19-43-22-27)38-25-11-9-24(10-12-25)37-26-13-16-35-17-14-26;1-39-16-12-26(13-17-39)40-18-15-34-30(40)28-19-22-20-35-32(38-29(22)41(31(28)42)27-6-2-3-7-27)37-24-10-8-23(9-11-24)36-25-5-4-14-33-21-25/h5-12,19-20,26,30,36H,13-18,21-22H2,1-4H3,(H,35,37,38);2-3,6-7,9-12,20-21,26-27,31,35,37H,4-5,8,13-19,22H2,1H3,(H,36,38,39);8-11,15,18-20,25-27,33,36H,2-7,12-14,16-17,21H2,1H3,(H,35,37,38)
InChIKeyIJFKBZCIZDMHMQ-UHFFFAOYSA-N
XLogP14.64
TPSA299.90 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001742.25
LogP ≤ 514.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[2-(diethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pyrrolidin-1-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158064534
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
8-ethyl-6-[3-methyl-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158439992
8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 159217137
6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-[[dihydroxy(methyl)-lambda4-sulfanyl]-methylamino]ethyl]-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-4,5-dihydroimidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 160307187
6-[3-Chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 160442096
8-Benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 160537791
6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[1-(1-acetylpiperidin-3-yl)imidazol-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfinamide;6-[2-(1-acetylpiperidin-2-yl)phenyl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpyrrolidin-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;hydrate
CID 160588223
8-Cyclopenta-1,3-dien-1-yl-6-[3,5-dimethyl-1-(1-methylimidazol-2-yl)pyrazol-4-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-2-(1-methylpyrrol-2-yl)pyrimidin-4-yl]-2-[4-[methyl(piperidin-4-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-(2-methyl-6-pyridin-4-yl-3-pyridinyl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 160691566
Bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 160736630
2-(4-cyclopropyl-4H-triazol-1-ium-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 161453567
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-3-carboxamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoxaline-2-carboxamide;N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]morpholine-4-carboxamide
CID 87592662

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158715182) is 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(NC6CCN(C)C6)cc5)nc4n(CCN(C)C)c3=O)cc2)C1.CN1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCCC3)c2=O)CC1.CN1CCCCC1c1ccccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2CCOC2)c1=O.
What is the InChIKey of 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IJFKBZCIZDMHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O2.C34H41N7O2.C32H41N9O/c1-23(43)41-16-13-26(21-41)24-5-7-25(8-6-24)31-19-27-20-35-34(38-32(27)42(33(31)44)18-17-39(2)3)37-29-11-9-28(10-12-29)36-30-14-15-40(4)22-30;1-40-18-5-4-8-31(40)29-7-3-2-6-28(29)30-20-23-21-36-34(39-32(23)41(33(30)42)27-15-19-43-22-27)38-25-11-9-24(10-12-25)37-26-13-16-35-17-14-26;1-39-16-12-26(13-17-39)40-18-15-34-30(40)28-19-22-20-35-32(38-29(22)41(31(28)42)27-6-2-3-7-27)37-24-10-8-23(9-11-24)36-25-5-4-14-33-21-25/h5-12,19-20,26,30,36H,13-18,21-22H2,1-4H3,(H,35,37,38);2-3,6-7,9-12,20-21,26-27,31,35,37H,4-5,8,13-19,22H2,1H3,(H,36,38,39);8-11,15,18-20,25-27,33,36H,2-7,12-14,16-17,21H2,1H3,(H,35,37,38).
What are the key properties of 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1742.25 g/mol, XLogP of 14.64, 23 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-acetylpyrrolidin-3-yl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158715182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).