N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

C25H17F2N7OS — CID 137134998

About N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137134998) has the molecular formula C25H17F2N7OS and a molecular weight of 501.52 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137134998
• Molecular Formula: C25H17F2N7OS
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.12
• IUPAC Name: N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C25H17F2N7OS/c1-2-21(35)30-13-7-12(10-28-11-13)15-8-16-18(9-17(15)26)33-34-23(16)25-31-22-14(5-6-29-24(22)32-25)19-3-4-20(27)36-19/h3-11H,2H2,1H3,(H,30,35)(H,33,34)(H,29,31,32)
• InChIKey: WJMRXQKJHBRZQX-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137134998) is N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)n[nH]c3cc2F)c1.

What is the InChIKey of N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

The InChIKey is WJMRXQKJHBRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N7OS/c1-2-21(35)30-13-7-12(10-28-11-13)15-8-16-18(9-17(15)26)33-34-23(16)25-31-22-14(5-6-29-24(22)32-25)19-3-4-20(27)36-19/h3-11H,2H2,1H3,(H,30,35)(H,33,34)(H,29,31,32).

What are the key properties of N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 501.52 g/mol, XLogP of 5.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-fluoro-3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137134998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).