7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

C21H20FN3O3 — CID 92597472

IUPAC7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-28-19-5-4-13(9-16(19)22)10-20(26)25-8-6-14(12-25)17-11-18-15(21(27)24-17)3-2-7-23-18/h2-5,7,9,11,14H,6,8,10,12H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeySKUZOKCEKGGALR-CQSZACIVSA-N
MW381.41 g/mol
LogP2.63
Rot. Bonds4

About 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92597472) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92597472
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-28-19-5-4-13(9-16(19)22)10-20(26)25-8-6-14(12-25)17-11-18-15(21(27)24-17)3-2-7-23-18/h2-5,7,9,11,14H,6,8,10,12H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeySKUZOKCEKGGALR-CQSZACIVSA-N
XLogP2.63
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487
7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 92597470
7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92611469
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 119634986
7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92571730
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
2-(3-fluoro-4-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538507
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
CID 22931147

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (CID 92597472) is 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is COc1ccc(CC(=O)N2CC[C@@H](c3cc4ncccc4c(=O)[nH]3)C2)cc1F.
What is the InChIKey of 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is SKUZOKCEKGGALR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-28-19-5-4-13(9-16(19)22)10-20(26)25-8-6-14(12-25)17-11-18-15(21(27)24-17)3-2-7-23-18/h2-5,7,9,11,14H,6,8,10,12H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 381.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92597472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).