6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one

C23H18F2N4O — CID 127049132

IUPAC6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
InChIKeyIRICKCQWXSQVCK-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.11
Rot. Bonds3

About 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one

6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 127049132) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID127049132
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
InChIKeyIRICKCQWXSQVCK-UHFFFAOYSA-N
XLogP4.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 127049132) is 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one is Cn1cc2c(-c3cc(F)c(CN4CCc5ncccc5C4=O)c(F)c3)cccc2n1.
What is the InChIKey of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is IRICKCQWXSQVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3.
What are the key properties of 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 404.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 127049132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).