N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

C26H19N7O — CID 136643030

About N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 136643030) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 136643030
• Molecular Formula: C26H19N7O
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.17
• IUPAC Name: N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H19N7O/c34-24(10-16-4-2-1-3-5-16)29-19-11-18(13-28-14-19)17-6-7-21-20(12-17)25(33-32-21)26-30-22-8-9-27-15-23(22)31-26/h1-9,11-15H,10H2,(H,29,34)(H,30,31)(H,32,33)
• InChIKey: TUWUQZNSNHCWJU-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 136643030) is N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is TUWUQZNSNHCWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O/c34-24(10-16-4-2-1-3-5-16)29-19-11-18(13-28-14-19)17-6-7-21-20(12-17)25(33-32-21)26-30-22-8-9-27-15-23(22)31-26/h1-9,11-15H,10H2,(H,29,34)(H,30,31)(H,32,33).

What are the key properties of N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 445.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 136643030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).