6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one

C26H24FN3O2 — CID 58524899

IUPAC6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3F)cc21
InChIInChI=1S/C26H24FN3O2/c1-25(32)14-26(28,15-25)17-9-7-16(8-10-17)24-19(18-5-3-4-6-20(18)27)13-22-21(29-24)11-12-23(31)30(22)2/h3-13,32H,14-15,28H2,1-2H3
InChIKeyRLAJIQCRWPYTFA-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.11
Rot. Bonds3

About 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one

6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one (PubChem CID 58524899) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one
PubChem CID58524899
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3F)cc21
InChIInChI=1S/C26H24FN3O2/c1-25(32)14-26(28,15-25)17-9-7-16(8-10-17)24-19(18-5-3-4-6-20(18)27)13-22-21(29-24)11-12-23(31)30(22)2/h3-13,32H,14-15,28H2,1-2H3
InChIKeyRLAJIQCRWPYTFA-UHFFFAOYSA-N
XLogP4.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one (CID 58524899) is 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)ccc2nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3F)cc21.
What is the InChIKey of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is RLAJIQCRWPYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-25(32)14-26(28,15-25)17-9-7-16(8-10-17)24-19(18-5-3-4-6-20(18)27)13-22-21(29-24)11-12-23(31)30(22)2/h3-13,32H,14-15,28H2,1-2H3.
What are the key properties of 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one?
6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 429.50 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-7-(2-fluorophenyl)-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 58524899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).