8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

C215H213Cl8N41O16 — CID 158263352

IUPAC8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)C3)nc21.Cc1cccc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(Cc4ccccc4)c3=O)c(Cl)c2)n1
InChIInChI=1S/C31H28ClN5O2.2C28H30ClN5O2.C27H28ClN5O2.C26H25ClN6O2.3C25H24ClN5O2/c1-20-6-5-9-28(34-20)22-10-11-25(27(32)17-22)26-16-23-18-33-31(35-24-12-14-39-15-13-24)36-29(23)37(30(26)38)19-21-7-3-2-4-8-21;1-5-34-25-19(16-31-27(33-25)32-20-10-12-36-28(3,4)15-20)13-22(26(34)35)21-9-8-18(14-23(21)29)24-17(2)7-6-11-30-24;1-5-34-25-19(16-30-27(33-25)32-20-11-12-36-28(3,4)15-20)13-22(26(34)35)21-10-9-18(14-23(21)29)24-8-6-7-17(2)31-24;1-4-33-25-19(15-30-27(32-25)31-20-9-11-35-17(3)12-20)13-22(26(33)34)21-8-7-18(14-23(21)28)24-16(2)6-5-10-29-24;1-3-33-24-17(14-30-26(32-24)31-18-8-10-28-22(34)13-18)11-20(25(33)35)19-7-6-16(12-21(19)27)23-15(2)5-4-9-29-23;3*1-3-31-23-17(13-27-25(30-23)29-18-9-10-33-14-18)11-20(24(31)32)19-8-7-16(12-21(19)26)22-6-4-5-15(2)28-22/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,35,36);6-9,11,13-14,16,20H,5,10,12,15H2,1-4H3,(H,31,32,33);6-10,13-14,16,20H,5,11-12,15H2,1-4H3,(H,30,32,33);5-8,10,13-15,17,20H,4,9,11-12H2,1-3H3,(H,30,31,32);4-7,9,11-12,14,18H,3,8,10,13H2,1-2H3,(H,28,34)(H,30,31,32);3*4-8,11-13,18H,3,9-10,14H2,1-2H3,(H,27,29,30)/t;;;;;2*18-;/m.....10./s1
InChIKeyGIDIZYIYLYKKMM-DQUDJOTRSA-N
MW3910.96 g/mol
LogP41.65
Rot. Bonds41

About 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158263352) has the molecular formula C215H213Cl8N41O16 and a molecular weight of 3910.96 g/mol. Its IUPAC name is 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158263352
Molecular FormulaC215H213Cl8N41O16
Molecular Weight3910.96 g/mol
Exact Mass3904.46
IUPAC Name8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)C3)nc21.Cc1cccc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(Cc4ccccc4)c3=O)c(Cl)c2)n1
InChIInChI=1S/C31H28ClN5O2.2C28H30ClN5O2.C27H28ClN5O2.C26H25ClN6O2.3C25H24ClN5O2/c1-20-6-5-9-28(34-20)22-10-11-25(27(32)17-22)26-16-23-18-33-31(35-24-12-14-39-15-13-24)36-29(23)37(30(26)38)19-21-7-3-2-4-8-21;1-5-34-25-19(16-31-27(33-25)32-20-10-12-36-28(3,4)15-20)13-22(26(34)35)21-9-8-18(14-23(21)29)24-17(2)7-6-11-30-24;1-5-34-25-19(16-30-27(33-25)32-20-11-12-36-28(3,4)15-20)13-22(26(34)35)21-10-9-18(14-23(21)29)24-8-6-7-17(2)31-24;1-4-33-25-19(15-30-27(32-25)31-20-9-11-35-17(3)12-20)13-22(26(33)34)21-8-7-18(14-23(21)28)24-16(2)6-5-10-29-24;1-3-33-24-17(14-30-26(32-24)31-18-8-10-28-22(34)13-18)11-20(25(33)35)19-7-6-16(12-21(19)27)23-15(2)5-4-9-29-23;3*1-3-31-23-17(13-27-25(30-23)29-18-9-10-33-14-18)11-20(24(31)32)19-8-7-16(12-21(19)26)22-6-4-5-15(2)28-22/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,35,36);6-9,11,13-14,16,20H,5,10,12,15H2,1-4H3,(H,31,32,33);6-10,13-14,16,20H,5,11-12,15H2,1-4H3,(H,30,32,33);5-8,10,13-15,17,20H,4,9,11-12H2,1-3H3,(H,30,31,32);4-7,9,11-12,14,18H,3,8,10,13H2,1-2H3,(H,28,34)(H,30,31,32);3*4-8,11-13,18H,3,9-10,14H2,1-2H3,(H,27,29,30)/t;;;;;2*18-;/m.....10./s1
InChIKeyGIDIZYIYLYKKMM-DQUDJOTRSA-N
XLogP41.65
TPSA675.31 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds41
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003910.96
LogP ≤ 541.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Analyze 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-phenylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8H-quinazolin-7-one;6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1,1-difluoroethyl)-4-(2-methyl-2H-pyrrol-4-yl)phenyl]-8-phenyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylsulfanylpiperidin-4-yl)-3H-pyrrol-5-yl]-8-(oxolan-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 160139382
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;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;6-[3-chloro-5-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-pyridinyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 161306719
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 71556936
(R)-6-(2-chloro-4-(3-methylpyrazin-2-yl)phenyl)-8-(pyridin-3-ylmethyl)-2-((tetrahydrofuran-3-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 71557076
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-[[(3R)-oxolan-3-yl]amino]-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 71557077
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 71557078
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-[[(3S)-oxolan-3-yl]amino]-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 71557079
6-[2-Chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(oxolan-3-ylamino)-8-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 78110813
6-[2-Chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(oxolan-3-ylamino)-8-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 78110871
6-[2-Chloro-4-(3-methylpyrazin-2-yl)phenyl]-2-(oxolan-3-ylamino)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 78110872
6-[2-Chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 89550506
6-[2-Chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 89550509

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 158263352) is 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(N[C@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)(C)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)C3)nc21.Cc1cccc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(Cc4ccccc4)c3=O)c(Cl)c2)n1.
What is the InChIKey of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GIDIZYIYLYKKMM-DQUDJOTRSA-N. The full InChI is InChI=1S/C31H28ClN5O2.2C28H30ClN5O2.C27H28ClN5O2.C26H25ClN6O2.3C25H24ClN5O2/c1-20-6-5-9-28(34-20)22-10-11-25(27(32)17-22)26-16-23-18-33-31(35-24-12-14-39-15-13-24)36-29(23)37(30(26)38)19-21-7-3-2-4-8-21;1-5-34-25-19(16-31-27(33-25)32-20-10-12-36-28(3,4)15-20)13-22(26(34)35)21-9-8-18(14-23(21)29)24-17(2)7-6-11-30-24;1-5-34-25-19(16-30-27(33-25)32-20-11-12-36-28(3,4)15-20)13-22(26(34)35)21-10-9-18(14-23(21)29)24-8-6-7-17(2)31-24;1-4-33-25-19(15-30-27(32-25)31-20-9-11-35-17(3)12-20)13-22(26(33)34)21-8-7-18(14-23(21)28)24-16(2)6-5-10-29-24;1-3-33-24-17(14-30-26(32-24)31-18-8-10-28-22(34)13-18)11-20(25(33)35)19-7-6-16(12-21(19)27)23-15(2)5-4-9-29-23;3*1-3-31-23-17(13-27-25(30-23)29-18-9-10-33-14-18)11-20(24(31)32)19-8-7-16(12-21(19)26)22-6-4-5-15(2)28-22/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,35,36);6-9,11,13-14,16,20H,5,10,12,15H2,1-4H3,(H,31,32,33);6-10,13-14,16,20H,5,11-12,15H2,1-4H3,(H,30,32,33);5-8,10,13-15,17,20H,4,9,11-12H2,1-3H3,(H,30,31,32);4-7,9,11-12,14,18H,3,8,10,13H2,1-2H3,(H,28,34)(H,30,31,32);3*4-8,11-13,18H,3,9-10,14H2,1-2H3,(H,27,29,30)/t;;;;;2*18-;/m.....10./s1.
What are the key properties of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3910.96 g/mol, XLogP of 41.65, 41 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[(2,2-dimethyloxan-4-yl)amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3S)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158263352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).