4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide

C24H28N4O — CID 90614473

About 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide

4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide (PubChem CID 90614473) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide.

Molecular Properties

• Compound Name: 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
• PubChem CID: 90614473
• Molecular Formula: C24H28N4O
• Molecular Weight: 388.52 g/mol
• Exact Mass: 388.23
• IUPAC Name: 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
• SMILES: O=C(CCCc1ccccc1)NCCn1nc(-c2ccccn2)c2c1CCCC2
• InChI: InChI=1S/C24H28N4O/c29-23(15-8-11-19-9-2-1-3-10-19)26-17-18-28-22-14-5-4-12-20(22)24(27-28)21-13-6-7-16-25-21/h1-3,6-7,9-10,13,16H,4-5,8,11-12,14-15,17-18H2,(H,26,29)
• InChIKey: AKMJEIKJESICJZ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.52
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?

The IUPAC name of 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide (CID 90614473) is 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide.

What is the SMILES notation for 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?

The canonical SMILES for 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide is O=C(CCCc1ccccc1)NCCn1nc(-c2ccccn2)c2c1CCCC2.

What is the InChIKey of 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?

The InChIKey is AKMJEIKJESICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-23(15-8-11-19-9-2-1-3-10-19)26-17-18-28-22-14-5-4-12-20(22)24(27-28)21-13-6-7-16-25-21/h1-3,6-7,9-10,13,16H,4-5,8,11-12,14-15,17-18H2,(H,26,29).

What are the key properties of 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide?

4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide has a molecular weight of 388.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 90614473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).