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

C28H23FN8O — CID 137134757

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

N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137134757) has the molecular formula C28H23FN8O and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137134757
• Molecular Formula: C28H23FN8O
• Molecular Weight: 506.55 g/mol
• Exact Mass: 506.20
• IUPAC Name: N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cccnc6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C28H23FN8O/c1-2-3-6-24(38)33-18-10-17(14-31-15-18)20-11-21-23(12-22(20)29)36-37-26(21)28-34-25-19(7-9-32-27(25)35-28)16-5-4-8-30-13-16/h4-5,7-15H,2-3,6H2,1H3,(H,33,38)(H,36,37)(H,32,34,35)
• InChIKey: UEKREIVJLDWLNO-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.55
LogP ≤ 5	5.89
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-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide?

The IUPAC name of N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137134757) is N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cccnc6)c5[nH]4)n[nH]c3cc2F)c1.

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

The InChIKey is UEKREIVJLDWLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN8O/c1-2-3-6-24(38)33-18-10-17(14-31-15-18)20-11-21-23(12-22(20)29)36-37-26(21)28-34-25-19(7-9-32-27(25)35-28)16-5-4-8-30-13-16/h4-5,7-15H,2-3,6H2,1H3,(H,33,38)(H,36,37)(H,32,34,35).

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

N-[5-[6-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 506.55 g/mol, XLogP of 5.89, 7 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-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137134757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).