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

C28H23FN8O — CID 136936012

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

N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 136936012) has the molecular formula C28H23FN8O and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 136936012
• Molecular Formula: C28H23FN8O
• Molecular Weight: 506.55 g/mol
• Exact Mass: 506.20
• IUPAC Name: N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)nccc5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C28H23FN8O/c1-28(2,3)27(38)33-17-9-16(13-31-14-17)18-10-19-22(11-20(18)29)36-37-24(19)26-34-21-6-8-32-23(25(21)35-26)15-5-4-7-30-12-15/h4-14H,1-3H3,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: CTPDQNQUUFMJLV-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.55
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 136936012) is N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)nccc5[nH]4)n[nH]c3cc2F)c1.

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

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

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

N-[5-[6-fluoro-3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 506.55 g/mol, XLogP of 5.75, 4 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-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136936012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).