3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

C17H11F2N5O — CID 86817777

IUPAC3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1ccn(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H11F2N5O/c18-13-2-1-3-14(19)16(13)24-7-5-11(22-24)9-23-10-21-15-8-20-6-4-12(15)17(23)25/h1-8,10H,9H2
InChIKeyCURMILSYUIGXOB-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.30
Rot. Bonds3

About 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 86817777) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID86817777
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1ccn(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H11F2N5O/c18-13-2-1-3-14(19)16(13)24-7-5-11(22-24)9-23-10-21-15-8-20-6-4-12(15)17(23)25/h1-8,10H,9H2
InChIKeyCURMILSYUIGXOB-UHFFFAOYSA-N
XLogP2.30
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 86817777) is 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1Cc1ccn(-c2c(F)cccc2F)n1.
What is the InChIKey of 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CURMILSYUIGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-13-2-1-3-14(19)16(13)24-7-5-11(22-24)9-23-10-21-15-8-20-6-4-12(15)17(23)25/h1-8,10H,9H2.
What are the key properties of 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 339.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 86817777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).