N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C27H21N7OS — CID 136643374

About N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 136643374) has the molecular formula C27H21N7OS and a molecular weight of 491.58 g/mol. Its IUPAC name is N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 136643374
• Molecular Formula: C27H21N7OS
• Molecular Weight: 491.58 g/mol
• Exact Mass: 491.15
• IUPAC Name: N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1)C1CCC1
• InChI: InChI=1S/C27H21N7OS/c35-27(15-2-1-3-15)30-19-8-18(10-28-11-19)16-4-5-22-20(9-16)25(34-33-22)26-31-23-13-29-12-21(24(23)32-26)17-6-7-36-14-17/h4-15H,1-3H2,(H,30,35)(H,31,32)(H,33,34)
• InChIKey: PGBTYEDMAATXIM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.58
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 136643374) is N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1)C1CCC1.

What is the InChIKey of N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is PGBTYEDMAATXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7OS/c35-27(15-2-1-3-15)30-19-8-18(10-28-11-19)16-4-5-22-20(9-16)25(34-33-22)26-31-23-13-29-12-21(24(23)32-26)17-6-7-36-14-17/h4-15H,1-3H2,(H,30,35)(H,31,32)(H,33,34).

What are the key properties of N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 491.58 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 136643374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).