6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C25H26ClN5O2 — CID 177381182

IUPAC6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCOC)c2n1
InChIInChI=1S/C25H26ClN5O2/c1-16-7-6-8-22(29-16)17-9-10-19(21(26)14-17)20-13-18-15-28-25(27-2)30-23(18)31(24(20)32)11-4-5-12-33-3/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,27,28,30)
InChIKeyRVGSGTCZRXFSGW-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.95
Rot. Bonds8

About 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177381182) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID177381182
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCOC)c2n1
InChIInChI=1S/C25H26ClN5O2/c1-16-7-6-8-22(29-16)17-9-10-19(21(26)14-17)20-13-18-15-28-25(27-2)30-23(18)31(24(20)32)11-4-5-12-33-3/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,27,28,30)
InChIKeyRVGSGTCZRXFSGW-UHFFFAOYSA-N
XLogP4.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 177381182) is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCOC)c2n1.
What is the InChIKey of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RVGSGTCZRXFSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-16-7-6-8-22(29-16)17-9-10-19(21(26)14-17)20-13-18-15-28-25(27-2)30-23(18)31(24(20)32)11-4-5-12-33-3/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,27,28,30).
What are the key properties of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 463.97 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177381182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).