N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

C20H21F3N6O — CID 25214470

IUPACN-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCCCCC3)n2n1)c1cccnc1
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)14-10-16(25-15-7-3-1-2-4-8-15)29-17(11-14)26-19(28-29)27-18(30)13-6-5-9-24-12-13/h5-6,9-12,15,25H,1-4,7-8H2,(H,27,28,30)
InChIKeyFPFMBQFSICXTCD-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.53
Rot. Bonds4

About N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 25214470) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID25214470
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC NameN-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCCCCC3)n2n1)c1cccnc1
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)14-10-16(25-15-7-3-1-2-4-8-15)29-17(11-14)26-19(28-29)27-18(30)13-6-5-9-24-12-13/h5-6,9-12,15,25H,1-4,7-8H2,(H,27,28,30)
InChIKeyFPFMBQFSICXTCD-UHFFFAOYSA-N
XLogP4.53
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-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 N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (CID 25214470) is N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCCCCC3)n2n1)c1cccnc1.
What is the InChIKey of N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is FPFMBQFSICXTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c21-20(22,23)14-10-16(25-15-7-3-1-2-4-8-15)29-17(11-14)26-19(28-29)27-18(30)13-6-5-9-24-12-13/h5-6,9-12,15,25H,1-4,7-8H2,(H,27,28,30).
What are the key properties of N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25214470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).