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

C30H21N7OS — CID 137019594

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

2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137019594) has the molecular formula C30H21N7OS and a molecular weight of 527.61 g/mol. Its IUPAC name is 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137019594
• Molecular Formula: C30H21N7OS
• Molecular Weight: 527.61 g/mol
• Exact Mass: 527.15
• IUPAC Name: 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H21N7OS/c38-26(13-18-5-2-1-3-6-18)33-21-14-20(16-31-17-21)19-8-9-23-22(15-19)27(37-36-23)30-34-24-10-11-32-29(28(24)35-30)25-7-4-12-39-25/h1-12,14-17H,13H2,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: FDHVOKJFUYWPEB-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.61
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137019594) is 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide.

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

The canonical SMILES for 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is FDHVOKJFUYWPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N7OS/c38-26(13-18-5-2-1-3-6-18)33-21-14-20(16-31-17-21)19-8-9-23-22(15-19)27(37-36-23)30-34-24-10-11-32-29(28(24)35-30)25-7-4-12-39-25/h1-12,14-17H,13H2,(H,33,38)(H,34,35)(H,36,37).

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

2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 527.61 g/mol, XLogP of 6.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137019594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).