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

C27H22FN7OS — CID 137135431

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

N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137135431) has the molecular formula C27H22FN7OS and a molecular weight of 511.59 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137135431
• Molecular Formula: C27H22FN7OS
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.16
• IUPAC Name: N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2F)c1
• InChI: InChI=1S/C27H22FN7OS/c1-2-3-6-21(36)31-16-12-15(13-29-14-16)17-7-8-19-22(23(17)28)25(35-34-19)27-32-24-18(20-5-4-11-37-20)9-10-30-26(24)33-27/h4-5,7-14H,2-3,6H2,1H3,(H,31,36)(H,34,35)(H,30,32,33)
• InChIKey: MKHLRTNBXNLMQS-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137135431) is N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccs6)c5[nH]4)c3c2F)c1.

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

The InChIKey is MKHLRTNBXNLMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7OS/c1-2-3-6-21(36)31-16-12-15(13-29-14-16)17-7-8-19-22(23(17)28)25(35-34-19)27-32-24-18(20-5-4-11-37-20)9-10-30-26(24)33-27/h4-5,7-14H,2-3,6H2,1H3,(H,31,36)(H,34,35)(H,30,32,33).

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

N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 511.59 g/mol, XLogP of 6.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137135431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).