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

C28H24FN7OS — CID 136935743

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

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 136935743) has the molecular formula C28H24FN7OS and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• PubChem CID: 136935743
• Molecular Formula: C28H24FN7OS
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.17
• IUPAC Name: N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H24FN7OS/c1-28(2,3)11-22(37)32-18-8-17(12-30-13-18)16-9-19-24(20(29)10-16)35-36-25(19)27-33-21-4-6-31-23(26(21)34-27)15-5-7-38-14-15/h4-10,12-14H,11H2,1-3H3,(H,32,37)(H,33,34)(H,35,36)
• InChIKey: PAZABJOWAVUXMN-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 136935743) is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

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

The canonical SMILES for N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is PAZABJOWAVUXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7OS/c1-28(2,3)11-22(37)32-18-8-17(12-30-13-18)16-9-19-24(20(29)10-16)35-36-25(19)27-33-21-4-6-31-23(26(21)34-27)15-5-7-38-14-15/h4-10,12-14H,11H2,1-3H3,(H,32,37)(H,33,34)(H,35,36).

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

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 525.61 g/mol, XLogP of 6.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 136935743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).