2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one

C20H20ClFN4O — CID 176997036

IUPAC2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one
SMILESCc1ccc(F)c([C@]2(Nc3ccc4ccn(C)c(=O)c4n3)CCNC2)c1Cl
InChIInChI=1S/C20H20ClFN4O/c1-12-3-5-14(22)16(17(12)21)20(8-9-23-11-20)25-15-6-4-13-7-10-26(2)19(27)18(13)24-15/h3-7,10,23H,8-9,11H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyRPKRQKCMRKYARD-FQEVSTJZSA-N
MW386.86 g/mol
LogP3.34
Rot. Bonds3

About 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one

2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one (PubChem CID 176997036) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one
PubChem CID176997036
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one
SMILESCc1ccc(F)c([C@]2(Nc3ccc4ccn(C)c(=O)c4n3)CCNC2)c1Cl
InChIInChI=1S/C20H20ClFN4O/c1-12-3-5-14(22)16(17(12)21)20(8-9-23-11-20)25-15-6-4-13-7-10-26(2)19(27)18(13)24-15/h3-7,10,23H,8-9,11H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyRPKRQKCMRKYARD-FQEVSTJZSA-N
XLogP3.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one?
The IUPAC name of 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one (CID 176997036) is 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one.
What is the SMILES notation for 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one?
The canonical SMILES for 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one is Cc1ccc(F)c([C@]2(Nc3ccc4ccn(C)c(=O)c4n3)CCNC2)c1Cl.
What is the InChIKey of 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one?
The InChIKey is RPKRQKCMRKYARD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-12-3-5-14(22)16(17(12)21)20(8-9-23-11-20)25-15-6-4-13-7-10-26(2)19(27)18(13)24-15/h3-7,10,23H,8-9,11H2,1-2H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one?
2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one has a molecular weight of 386.86 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]-7-methyl-1,7-naphthyridin-8-one is sourced from PubChem (CID 176997036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).