5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C20H23FN4O3 — CID 42874604

About 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42874604) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 42874604
• Molecular Formula: C20H23FN4O3
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.18
• IUPAC Name: 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: O=C(NCC1CCCO1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2
• InChI: InChI=1S/C20H23FN4O3/c21-16-6-2-1-4-13(16)10-18(26)25-8-7-17-15(12-25)19(24-23-17)20(27)22-11-14-5-3-9-28-14/h1-2,4,6,14H,3,5,7-12H2,(H,22,27)(H,23,24)
• InChIKey: FXKYKHJKMCMKMK-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42874604) is 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCC1CCCO1)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2.

What is the InChIKey of 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is FXKYKHJKMCMKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-16-6-2-1-4-13(16)10-18(26)25-8-7-17-15(12-25)19(24-23-17)20(27)22-11-14-5-3-9-28-14/h1-2,4,6,14H,3,5,7-12H2,(H,22,27)(H,23,24).

What are the key properties of 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluorophenyl)acetyl]-N-(oxolan-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42874604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).