N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C28H25FN8 — CID 136937036

About N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 136937036) has the molecular formula C28H25FN8 and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 136937036
• Molecular Formula: C28H25FN8
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.22
• IUPAC Name: N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)cc45)nc23)c1
• InChI: InChI=1S/C28H25FN8/c1-37(2)12-11-30-20-14-18(13-19(29)16-20)25-27-24(8-10-32-25)33-28(34-27)26-21-15-17(6-7-23(21)35-36-26)22-5-3-4-9-31-22/h3-10,13-16,30H,11-12H2,1-2H3,(H,33,34)(H,35,36)
• InChIKey: CUTFHQCWHYRFRP-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 98.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 136937036) is N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)cc45)nc23)c1.

What is the InChIKey of N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is CUTFHQCWHYRFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8/c1-37(2)12-11-30-20-14-18(13-19(29)16-20)25-27-24(8-10-32-25)33-28(34-27)26-21-15-17(6-7-23(21)35-36-26)22-5-3-4-9-31-22/h3-10,13-16,30H,11-12H2,1-2H3,(H,33,34)(H,35,36).

What are the key properties of N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 492.56 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-[2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 136937036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).