3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one

C18H10F2N4O — CID 134805921

IUPAC3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3cccnc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C18H10F2N4O/c19-12-3-6-16(13(20)8-12)24-10-22-15-5-4-14(23-17(15)18(24)25)11-2-1-7-21-9-11/h1-10H
InChIKeyWEUDOMBWOKKQLF-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.12
Rot. Bonds2

About 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one

3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805921) has the molecular formula C18H10F2N4O and a molecular weight of 336.30 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134805921
Molecular FormulaC18H10F2N4O
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Name3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3cccnc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C18H10F2N4O/c19-12-3-6-16(13(20)8-12)24-10-22-15-5-4-14(23-17(15)18(24)25)11-2-1-7-21-9-11/h1-10H
InChIKeyWEUDOMBWOKKQLF-UHFFFAOYSA-N
XLogP3.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44814409
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
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3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
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3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
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13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726
2-Ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470738
2-Ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470745
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CID 9871891
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CID 10369373

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one (CID 134805921) is 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3cccnc3)ccc2ncn1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is WEUDOMBWOKKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N4O/c19-12-3-6-16(13(20)8-12)24-10-22-15-5-4-14(23-17(15)18(24)25)11-2-1-7-21-9-11/h1-10H.
What are the key properties of 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 336.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).