6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C25H25ClN6O3 — CID 127051549

IUPAC6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-n4ccc(C)cc4=O)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1
InChIInChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1
InChIKeyHBHSIBFSZDHHSC-GOSISDBHSA-N
MW492.97 g/mol
LogP2.60
Rot. Bonds5

About 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127051549) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID127051549
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-n4ccc(C)cc4=O)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1
InChIInChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1
InChIKeyHBHSIBFSZDHHSC-GOSISDBHSA-N
XLogP2.60
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

PD-180970
CID 5311104
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
8-[(Trans-4-Aminocyclohexyl)methyl]-6-[2-chloro-4-(3-fluoro-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 162642759
6-(2,6-dichlorophenyl)-2-[(2-hydroxyethyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327873
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327877
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 127051549) is 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-n4ccc(C)cc4=O)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1.
What is the InChIKey of 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HBHSIBFSZDHHSC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1.
What are the key properties of 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 492.97 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(4-methyl-2-oxo-1-pyridinyl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127051549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).