4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide

C21H26FN7O — CID 138588494

IUPAC4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-c4cn(C)nn4)ncc3cn2)CC1
InChIInChI=1S/C21H26FN7O/c1-14(2)12-29-6-4-21(22,5-7-29)20(30)25-19-9-15-8-17(18-13-28(3)27-26-18)23-10-16(15)11-24-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,24,25,30)
InChIKeyWIYNQVPBQVLTHX-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.82
Rot. Bonds5

About 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide

4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (PubChem CID 138588494) has the molecular formula C21H26FN7O and a molecular weight of 411.49 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
PubChem CID138588494
Molecular FormulaC21H26FN7O
Molecular Weight411.49 g/mol
Exact Mass411.22
IUPAC Name4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-c4cn(C)nn4)ncc3cn2)CC1
InChIInChI=1S/C21H26FN7O/c1-14(2)12-29-6-4-21(22,5-7-29)20(30)25-19-9-15-8-17(18-13-28(3)27-26-18)23-10-16(15)11-24-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,24,25,30)
InChIKeyWIYNQVPBQVLTHX-UHFFFAOYSA-N
XLogP2.82
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide 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 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (CID 138588494) is 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is CC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-c4cn(C)nn4)ncc3cn2)CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The InChIKey is WIYNQVPBQVLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN7O/c1-14(2)12-29-6-4-21(22,5-7-29)20(30)25-19-9-15-8-17(18-13-28(3)27-26-18)23-10-16(15)11-24-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,24,25,30).
What are the key properties of 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpropyl)-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138588494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).