6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C25H24FN7O2 — CID 166934944

IUPAC6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4cccc(N)n4)C3)n2-c2ccccc2F)nc1
InChIInChI=1S/C25H24FN7O2/c1-2-35-17-10-11-19(28-14-17)24-32-31-23(33(24)21-8-4-3-6-18(21)26)15-12-16(13-15)29-25(34)20-7-5-9-22(27)30-20/h3-11,14-16H,2,12-13H2,1H3,(H2,27,30)(H,29,34)
InChIKeyXETLKEVLDRUNQQ-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.52
Rot. Bonds7

About 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 166934944) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID166934944
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4cccc(N)n4)C3)n2-c2ccccc2F)nc1
InChIInChI=1S/C25H24FN7O2/c1-2-35-17-10-11-19(28-14-17)24-32-31-23(33(24)21-8-4-3-6-18(21)26)15-12-16(13-15)29-25(34)20-7-5-9-22(27)30-20/h3-11,14-16H,2,12-13H2,1H3,(H2,27,30)(H,29,34)
InChIKeyXETLKEVLDRUNQQ-UHFFFAOYSA-N
XLogP3.52
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-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 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 166934944) is 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is CCOc1ccc(-c2nnc(C3CC(NC(=O)c4cccc(N)n4)C3)n2-c2ccccc2F)nc1.
What is the InChIKey of 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is XETLKEVLDRUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-2-35-17-10-11-19(28-14-17)24-32-31-23(33(24)21-8-4-3-6-18(21)26)15-12-16(13-15)29-25(34)20-7-5-9-22(27)30-20/h3-11,14-16H,2,12-13H2,1H3,(H2,27,30)(H,29,34).
What are the key properties of 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 166934944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).