2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one

C25H28F3N3O2 — CID 167379558

IUPAC2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one
SMILESCC(C)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4cnccc34)cc2OC(F)(F)F)CC1
InChIInChI=1S/C25H28F3N3O2/c1-16(2)17-7-10-31(11-8-17)14-19-5-4-18(12-23(19)33-25(26,27)28)22-15-30(3)24(32)21-13-29-9-6-20(21)22/h4-6,9,12-13,15-17H,7-8,10-11,14H2,1-3H3
InChIKeyJGTHPHMWPXHMPX-UHFFFAOYSA-N
MW459.51 g/mol
LogP5.37
Rot. Bonds5

About 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one

2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one (PubChem CID 167379558) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one
PubChem CID167379558
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one
SMILESCC(C)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4cnccc34)cc2OC(F)(F)F)CC1
InChIInChI=1S/C25H28F3N3O2/c1-16(2)17-7-10-31(11-8-17)14-19-5-4-18(12-23(19)33-25(26,27)28)22-15-30(3)24(32)21-13-29-9-6-20(21)22/h4-6,9,12-13,15-17H,7-8,10-11,14H2,1-3H3
InChIKeyJGTHPHMWPXHMPX-UHFFFAOYSA-N
XLogP5.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-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

7-fluoro-2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]isoquinolin-1-one
CID 167379625
3-[3-fluoro-4-[4-[2-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164720132
3-[3-fluoro-4-[1-[2-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 164720537
4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 156707453
6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
CID 170020508
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
3-[4-[4-[2-[1-[[4-[2-[[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl]ethyl]-1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-1-oxo-2,7-naphthyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166729970
3-[4-[4-[1-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164720433
3-[4-[1-[2-[4-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione;N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[3-fluoro-4-[1-[2-[4-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 165105086
1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-chloro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide;1-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 165040181
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one (CID 167379558) is 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one is CC(C)C1CCN(Cc2ccc(-c3cn(C)c(=O)c4cnccc34)cc2OC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one?
The InChIKey is JGTHPHMWPXHMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c1-16(2)17-7-10-31(11-8-17)14-19-5-4-18(12-23(19)33-25(26,27)28)22-15-30(3)24(32)21-13-29-9-6-20(21)22/h4-6,9,12-13,15-17H,7-8,10-11,14H2,1-3H3.
What are the key properties of 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one?
2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one has a molecular weight of 459.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 167379558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).