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

C26H23FN6O2 — CID 146282352

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

N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282352) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
• PubChem CID: 146282352
• Molecular Formula: C26H23FN6O2
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.19
• IUPAC Name: N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
• SMILES: O=C(NC1CC(c2nnc(-c3ccc(OC4CC4)cn3)n2-c2ccccc2F)C1)c1ccccn1
• InChI: InChI=1S/C26H23FN6O2/c27-20-5-1-2-7-23(20)33-24(16-13-17(14-16)30-26(34)22-6-3-4-12-28-22)31-32-25(33)21-11-10-19(15-29-21)35-18-8-9-18/h1-7,10-12,15-18H,8-9,13-14H2,(H,30,34)
• InChIKey: SCXCVEFJMAVZQZ-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282352) is N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is O=C(NC1CC(c2nnc(-c3ccc(OC4CC4)cn3)n2-c2ccccc2F)C1)c1ccccn1.

What is the InChIKey of N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The InChIKey is SCXCVEFJMAVZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-20-5-1-2-7-23(20)33-24(16-13-17(14-16)30-26(34)22-6-3-4-12-28-22)31-32-25(33)21-11-10-19(15-29-21)35-18-8-9-18/h1-7,10-12,15-18H,8-9,13-14H2,(H,30,34).

What are the key properties of N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(5-cyclopropyloxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).