6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate

C100H113Cl3F3N19O8S — CID 158501823

IUPAC6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
SMILESCC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1.O.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C35H39F3N6O3S.C33H39ClN8O2.C32H33Cl2N5O2.H2O/c1-42-15-16-47-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(14-12-23)48(2)46;1-20(2)42-31-23(18-36-33(39-31)38-25-10-8-24(9-11-25)37-26-12-14-40(4)19-26)15-27(32(42)44)30-28(34)16-22(17-35-30)29-7-5-6-13-41(29)21(3)43;33-27-15-20(19-7-8-19)16-28(34)29(27)26-14-21-17-36-32(38-30(21)39(31(26)40)23-4-1-2-5-23)37-22-9-11-24(12-10-22)41-25-6-3-13-35-18-25;/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);8-11,15-18,20,26,29,37H,5-7,12-14,19H2,1-4H3,(H,36,38,39);9-12,14-17,19,23,25,35H,1-8,13,18H2,(H,36,37,38);1H2
InChIKeyNPBDLCLHZGRCMF-UHFFFAOYSA-N
MW1904.55 g/mol
LogP18.94
Rot. Bonds22

About 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate

6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate (PubChem CID 158501823) has the molecular formula C100H113Cl3F3N19O8S and a molecular weight of 1904.55 g/mol. Its IUPAC name is 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate.

Molecular Properties

Compound Name6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
PubChem CID158501823
Molecular FormulaC100H113Cl3F3N19O8S
Molecular Weight1904.55 g/mol
Exact Mass1901.78
IUPAC Name6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate
SMILESCC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1.O.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C35H39F3N6O3S.C33H39ClN8O2.C32H33Cl2N5O2.H2O/c1-42-15-16-47-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(14-12-23)48(2)46;1-20(2)42-31-23(18-36-33(39-31)38-25-10-8-24(9-11-25)37-26-12-14-40(4)19-26)15-27(32(42)44)30-28(34)16-22(17-35-30)29-7-5-6-13-41(29)21(3)43;33-27-15-20(19-7-8-19)16-28(34)29(27)26-14-21-17-36-32(38-30(21)39(31(26)40)23-4-1-2-5-23)37-22-9-11-24(12-10-22)41-25-6-3-13-35-18-25;/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);8-11,15-18,20,26,29,37H,5-7,12-14,19H2,1-4H3,(H,36,38,39);9-12,14-17,19,23,25,35H,1-8,13,18H2,(H,36,37,38);1H2
InChIKeyNPBDLCLHZGRCMF-UHFFFAOYSA-N
XLogP18.94
TPSA313.44 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.55
LogP ≤ 518.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate with MolForge

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Related Compounds

6-[4-(1-acetylpiperidin-4-yl)-2,6-dichlorophenyl]-8-ethyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-[3-(1-acetylpiperidin-3-yl)-1H-imidazol-3-ium-2-yl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;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;8-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-6-[4-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]phenyl]-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one
CID 158114185
8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfanylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[3-(1,2-oxazol-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 162151087
6-(1-cyclopentylimidazol-2-yl)-2-(4-piperazin-1-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-pyridin-3-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane
CID 162249893
2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90213071
6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71251088
8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyltetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 158402105
6-(2,6-dichloro-4-piperidin-4-ylphenyl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249742
6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(2-prop-1-en-2-ylcyclohexyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160723095
6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 90213114
6-[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(piperidin-3-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 90213069
6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160969960
6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-4-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(5-methyl-3-pyridin-2-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159081887

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?
The IUPAC name of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate (CID 158501823) is 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate.
What is the SMILES notation for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?
The canonical SMILES for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate is CC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1.CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1.O.O=c1c(-c2c(Cl)cc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?
The InChIKey is NPBDLCLHZGRCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3N6O3S.C33H39ClN8O2.C32H33Cl2N5O2.H2O/c1-42-15-16-47-31(21-42)24-5-8-27(9-6-24)40-34-39-19-26-17-29(33(45)44(32(26)41-34)20-22-3-4-22)28-10-7-25(18-30(28)35(36,37)38)23-11-13-43(14-12-23)48(2)46;1-20(2)42-31-23(18-36-33(39-31)38-25-10-8-24(9-11-25)37-26-12-14-40(4)19-26)15-27(32(42)44)30-28(34)16-22(17-35-30)29-7-5-6-13-41(29)21(3)43;33-27-15-20(19-7-8-19)16-28(34)29(27)26-14-21-17-36-32(38-30(21)39(31(26)40)23-4-1-2-5-23)37-22-9-11-24(12-10-22)41-25-6-3-13-35-18-25;/h5-10,17-19,22-23,31H,3-4,11-16,20-21H2,1-2H3,(H,39,40,41);8-11,15-18,20,26,29,37H,5-7,12-14,19H2,1-4H3,(H,36,38,39);9-12,14-17,19,23,25,35H,1-8,13,18H2,(H,36,37,38);1H2.
What are the key properties of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate?
6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate has a molecular weight of 1904.55 g/mol, XLogP of 18.94, 22 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(2,6-dichloro-4-cyclopropylphenyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-(1-methylsulfinylpiperidin-4-yl)-2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;hydrate is sourced from PubChem (CID 158501823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).