6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C25H23FN4O — CID 26132921

IUPAC6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCn1c2c(cc(-c3ccccc3)c1=O)CN(Cc1cnn(-c3ccc(F)cc3)c1)CC2
InChIInChI=1S/C25H23FN4O/c1-28-24-11-12-29(15-18-14-27-30(16-18)22-9-7-21(26)8-10-22)17-20(24)13-23(25(28)31)19-5-3-2-4-6-19/h2-10,13-14,16H,11-12,15,17H2,1H3
InChIKeyQEKOSTWFQSAAPU-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.94
Rot. Bonds4

About 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26132921) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26132921
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCn1c2c(cc(-c3ccccc3)c1=O)CN(Cc1cnn(-c3ccc(F)cc3)c1)CC2
InChIInChI=1S/C25H23FN4O/c1-28-24-11-12-29(15-18-14-27-30(16-18)22-9-7-21(26)8-10-22)17-20(24)13-23(25(28)31)19-5-3-2-4-6-19/h2-10,13-14,16H,11-12,15,17H2,1H3
InChIKeyQEKOSTWFQSAAPU-UHFFFAOYSA-N
XLogP3.94
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26132921) is 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cn1c2c(cc(-c3ccccc3)c1=O)CN(Cc1cnn(-c3ccc(F)cc3)c1)CC2.
What is the InChIKey of 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is QEKOSTWFQSAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-28-24-11-12-29(15-18-14-27-30(16-18)22-9-7-21(26)8-10-22)17-20(24)13-23(25(28)31)19-5-3-2-4-6-19/h2-10,13-14,16H,11-12,15,17H2,1H3.
What are the key properties of 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 414.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26132921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).