N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

C29H21F2N7 — CID 145034455

About N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine

N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145034455) has the molecular formula C29H21F2N7 and a molecular weight of 505.53 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145034455
• Molecular Formula: C29H21F2N7
• Molecular Weight: 505.53 g/mol
• Exact Mass: 505.18
• IUPAC Name: N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2F)c1)C1CC1
• InChI: InChI=1S/C29H21F2N7/c1-15(16-6-7-16)34-18-12-17(13-32-14-18)19-8-9-22-24(25(19)31)28(38-37-22)29-35-23-10-11-33-26(27(23)36-29)20-4-2-3-5-21(20)30/h2-5,8-14,16,34H,1,6-7H2,(H,35,36)(H,37,38)
• InChIKey: DOAYVVXIKUFFOE-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 145034455) is N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)nccc5[nH]4)c3c2F)c1)C1CC1.

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

The InChIKey is DOAYVVXIKUFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F2N7/c1-15(16-6-7-16)34-18-12-17(13-32-14-18)19-8-9-22-24(25(19)31)28(38-37-22)29-35-23-10-11-33-26(27(23)36-29)20-4-2-3-5-21(20)30/h2-5,8-14,16,34H,1,6-7H2,(H,35,36)(H,37,38).

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

N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 505.53 g/mol, XLogP of 6.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145034455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).