3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one

C20H13F2N3O — CID 121275669

IUPAC3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C20H13F2N3O/c21-17-9-14(13-5-2-1-3-6-13)10-18(22)16(17)11-25-12-24-19-15(20(25)26)7-4-8-23-19/h1-10,12H,11H2
InChIKeyTYXJHZZBSLVBDM-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.79
Rot. Bonds3

About 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one

3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 121275669) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID121275669
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C20H13F2N3O/c21-17-9-14(13-5-2-1-3-6-13)10-18(22)16(17)11-25-12-24-19-15(20(25)26)7-4-8-23-19/h1-10,12H,11H2
InChIKeyTYXJHZZBSLVBDM-UHFFFAOYSA-N
XLogP3.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2,6-difluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275636
3-[(2,6-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 39754045
3-[[4-(2,3-dihydro-1H-indazol-6-yl)-2-fluorophenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123792141
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
3-[[3-[3-(dimethylamino)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 121275764
3-[[2,6-difluoro-4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 123764581
3-[[4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123427419
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 39794219
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 18165536
3-[[2,6-difluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275667

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one (CID 121275669) is 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is TYXJHZZBSLVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-17-9-14(13-5-2-1-3-6-13)10-18(22)16(17)11-25-12-24-19-15(20(25)26)7-4-8-23-19/h1-10,12H,11H2.
What are the key properties of 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 349.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoro-4-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121275669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).