8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one

C47H35N9O3 — CID 158583374

IUPAC8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(-c3ccncc3)nc2c1C.O=c1cc(-c2ccncc2)nc2ccc(-c3ccccc3)cn12.O=c1cc(-c2ccncc2)nc2ccccn12
InChIInChI=1S/C19H13N3O.C15H13N3O.C13H9N3O/c23-19-12-17(15-8-10-20-11-9-15)21-18-7-6-16(13-22(18)19)14-4-2-1-3-5-14;1-10-5-8-18-14(19)9-13(17-15(18)11(10)2)12-3-6-16-7-4-12;17-13-9-11(10-4-6-14-7-5-10)15-12-3-1-2-8-16(12)13/h1-13H;3-9H,1-2H3;1-9H
InChIKeyHTNHHYVXMJKHJD-UHFFFAOYSA-N
MW773.86 g/mol
LogP7.55
Rot. Bonds4

About 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one

8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 158583374) has the molecular formula C47H35N9O3 and a molecular weight of 773.86 g/mol. Its IUPAC name is 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID158583374
Molecular FormulaC47H35N9O3
Molecular Weight773.86 g/mol
Exact Mass773.29
IUPAC Name8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(-c3ccncc3)nc2c1C.O=c1cc(-c2ccncc2)nc2ccc(-c3ccccc3)cn12.O=c1cc(-c2ccncc2)nc2ccccn12
InChIInChI=1S/C19H13N3O.C15H13N3O.C13H9N3O/c23-19-12-17(15-8-10-20-11-9-15)21-18-7-6-16(13-22(18)19)14-4-2-1-3-5-14;1-10-5-8-18-14(19)9-13(17-15(18)11(10)2)12-3-6-16-7-4-12;17-13-9-11(10-4-6-14-7-5-10)15-12-3-1-2-8-16(12)13/h1-13H;3-9H,1-2H3;1-9H
InChIKeyHTNHHYVXMJKHJD-UHFFFAOYSA-N
XLogP7.55
TPSA141.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.86
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 158583374) is 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(-c3ccncc3)nc2c1C.O=c1cc(-c2ccncc2)nc2ccc(-c3ccccc3)cn12.O=c1cc(-c2ccncc2)nc2ccccn12.
What is the InChIKey of 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HTNHHYVXMJKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O.C15H13N3O.C13H9N3O/c23-19-12-17(15-8-10-20-11-9-15)21-18-7-6-16(13-22(18)19)14-4-2-1-3-5-14;1-10-5-8-18-14(19)9-13(17-15(18)11(10)2)12-3-6-16-7-4-12;17-13-9-11(10-4-6-14-7-5-10)15-12-3-1-2-8-16(12)13/h1-13H;3-9H,1-2H3;1-9H.
What are the key properties of 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 773.86 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-phenyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158583374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).