N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C21H22N6O2 — CID 91639146

About N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 91639146) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
• PubChem CID: 91639146
• Molecular Formula: C21H22N6O2
• Molecular Weight: 390.45 g/mol
• Exact Mass: 390.18
• IUPAC Name: N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
• SMILES: COCCn1c([C@H](C)NC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21
• InChI: InChI=1S/C21H22N6O2/c1-14(20-24-16-8-3-4-9-19(16)27(20)11-12-29-2)23-21(28)18-13-17(25-26-18)15-7-5-6-10-22-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,28)(H,25,26)/t14-/m0/s1
• InChIKey: SQCBIQWJMQCANZ-AWEZNQCLSA-N
• XLogP: 2.96
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.45
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 91639146) is N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is COCCn1c([C@H](C)NC(=O)c2cc(-c3ccccn3)n[nH]2)nc2ccccc21.

What is the InChIKey of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

The InChIKey is SQCBIQWJMQCANZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14(20-24-16-8-3-4-9-19(16)27(20)11-12-29-2)23-21(28)18-13-17(25-26-18)15-7-5-6-10-22-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,28)(H,25,26)/t14-/m0/s1.

What are the key properties of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91639146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).