1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one

C23H27FN4O — CID 24866704

IUPAC1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
SMILESCc1ccc(CC2CCN(CCn3c(=O)ccc4ccncc43)C(N)C2)cc1F
InChIInChI=1S/C23H27FN4O/c1-16-2-3-17(13-20(16)24)12-18-7-9-27(22(25)14-18)10-11-28-21-15-26-8-6-19(21)4-5-23(28)29/h2-6,8,13,15,18,22H,7,9-12,14,25H2,1H3
InChIKeyKGRQUWBPRRFQEA-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.08
Rot. Bonds5

About 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one

1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one (PubChem CID 24866704) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
PubChem CID24866704
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
SMILESCc1ccc(CC2CCN(CCn3c(=O)ccc4ccncc43)C(N)C2)cc1F
InChIInChI=1S/C23H27FN4O/c1-16-2-3-17(13-20(16)24)12-18-7-9-27(22(25)14-18)10-11-28-21-15-26-8-6-19(21)4-5-23(28)29/h2-6,8,13,15,18,22H,7,9-12,14,25H2,1H3
InChIKeyKGRQUWBPRRFQEA-UHFFFAOYSA-N
XLogP3.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one with MolForge

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Related Compounds

1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one
CID 13465138
5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 166615769
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171712163
3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116926413
3-[(3-fluoro-4-methylphenyl)methyl]azetidine
CID 63647017
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
(2-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166616429
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166620694
2-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 133480545
2-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 171325983

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
The IUPAC name of 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one (CID 24866704) is 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
The canonical SMILES for 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one is Cc1ccc(CC2CCN(CCn3c(=O)ccc4ccncc43)C(N)C2)cc1F.
What is the InChIKey of 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
The InChIKey is KGRQUWBPRRFQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-16-2-3-17(13-20(16)24)12-18-7-9-27(22(25)14-18)10-11-28-21-15-26-8-6-19(21)4-5-23(28)29/h2-6,8,13,15,18,22H,7,9-12,14,25H2,1H3.
What are the key properties of 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one?
1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one has a molecular weight of 394.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one is sourced from PubChem (CID 24866704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).