2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

C29H28ClFN4O2 — CID 123870204

IUPAC2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)c(-c3ccc(F)cc3)c3cnccc23)CC1
InChIInChI=1S/C29H28ClFN4O2/c1-18(2)17-37-29(36)20-9-13-35(14-10-20)28-23-8-11-32-16-24(23)26(19-3-5-22(31)6-4-19)27(34-28)21-7-12-33-25(30)15-21/h3-8,11-12,15-16,18,20H,9-10,13-14,17H2,1-2H3
InChIKeyCGEXYWLSCPNKHU-UHFFFAOYSA-N
MW519.02 g/mol
LogP6.57
Rot. Bonds6

About 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (PubChem CID 123870204) has the molecular formula C29H28ClFN4O2 and a molecular weight of 519.02 g/mol. Its IUPAC name is 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
PubChem CID123870204
Molecular FormulaC29H28ClFN4O2
Molecular Weight519.02 g/mol
Exact Mass518.19
IUPAC Name2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)c(-c3ccc(F)cc3)c3cnccc23)CC1
InChIInChI=1S/C29H28ClFN4O2/c1-18(2)17-37-29(36)20-9-13-35(14-10-20)28-23-8-11-32-16-24(23)26(19-3-5-22(31)6-4-19)27(34-28)21-7-12-33-25(30)15-21/h3-8,11-12,15-16,18,20H,9-10,13-14,17H2,1-2H3
InChIKeyCGEXYWLSCPNKHU-UHFFFAOYSA-N
XLogP6.57
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.02
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate 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

1-[8-(3-Chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 10451631
Sodium 1-[8-(3-fluoro-phenyl)-[1,7]naphthyridin-6-yl]-piperidine-4-carboxylate
CID 23688043
(3S)-4-[7-(2-chloro-3-fluoro-4-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441865
Ethyl 1-[2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenyl]piperidine-4-carboxylate
CID 2811591
Ethyl 1-[6-(6-fluoro-3-pyridyl)-2-quinolyl]piperidine-4-carboxylate
CID 156537988
Ethyl 1-[6-(3-chloro-4-fluoro-phenyl)-2-quinolyl]piperidine-4-carboxylate
CID 156537994
Ethyl 1-[6-(4-chloro-3-fluoro-phenyl)-2-quinolyl]piperidine-4-carboxylate
CID 156558514
Ethyl 1-[6-(2-fluoro-4-pyridyl)-2-quinolyl]piperidine-4-carboxylate
CID 156558581
1-[8-(3-Fluoro-phenyl)-[1,7]naphthyridin-6-yl]-piperidine-4-carboxylic acid ethyl ester
CID 10385049
1-[3-(2-chloropyridin-4-yl)-2,6-naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 25020418
3-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 53345628
N-[6-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
CID 53372592

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (CID 123870204) is 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is CC(C)COC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)c(-c3ccc(F)cc3)c3cnccc23)CC1.
What is the InChIKey of 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The InChIKey is CGEXYWLSCPNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFN4O2/c1-18(2)17-37-29(36)20-9-13-35(14-10-20)28-23-8-11-32-16-24(23)26(19-3-5-22(31)6-4-19)27(34-28)21-7-12-33-25(30)15-21/h3-8,11-12,15-16,18,20H,9-10,13-14,17H2,1-2H3.
What are the key properties of 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate has a molecular weight of 519.02 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-[3-(2-chloro-4-pyridinyl)-4-(4-fluorophenyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is sourced from PubChem (CID 123870204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).