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

C24H24ClN5O2 — CID 177381181

IUPAC6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCOC)c2n1
InChIInChI=1S/C24H24ClN5O2/c1-15-6-4-7-21(28-15)16-8-9-18(20(25)13-16)19-12-17-14-27-24(26-2)29-22(17)30(23(19)31)10-5-11-32-3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,26,27,29)
InChIKeyVQGFGNRPHPZXHU-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.56
Rot. Bonds7

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

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 177381181) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID177381181
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCOC)c2n1
InChIInChI=1S/C24H24ClN5O2/c1-15-6-4-7-21(28-15)16-8-9-18(20(25)13-16)19-12-17-14-27-24(26-2)29-22(17)30(23(19)31)10-5-11-32-3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,26,27,29)
InChIKeyVQGFGNRPHPZXHU-UHFFFAOYSA-N
XLogP4.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.56
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-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 177381181) is 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-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-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCOC)c2n1.
What is the InChIKey of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VQGFGNRPHPZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-15-6-4-7-21(28-15)16-8-9-18(20(25)13-16)19-12-17-14-27-24(26-2)29-22(17)30(23(19)31)10-5-11-32-3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,26,27,29).
What are the key properties of 6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 449.94 g/mol, XLogP of 4.56, 7 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-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177381181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).