2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C28H30N8 — CID 160847165

About 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 160847165) has the molecular formula C28H30N8 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• PubChem CID: 160847165
• Molecular Formula: C28H30N8
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.26
• IUPAC Name: 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• SMILES: CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1
• InChI: InChI=1S/C28H30N8/c1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17/h6-11,15,17H,3-5,12-14,16H2,1-2H3,(H,29,33)(H,30,31)
• InChIKey: SIUCPSAJKHPCSR-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 91.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The IUPAC name of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 160847165) is 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The canonical SMILES for 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.

What is the InChIKey of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The InChIKey is SIUCPSAJKHPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8/c1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17/h6-11,15,17H,3-5,12-14,16H2,1-2H3,(H,29,33)(H,30,31).

What are the key properties of 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 478.60 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 160847165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).