5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine

C23H26N6 — CID 87616219

About 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine

5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 87616219) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine
• PubChem CID: 87616219
• Molecular Formula: C23H26N6
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.22
• IUPAC Name: 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine
• SMILES: CC(C)(C)c1nc(-c2ccccc2)c(-c2ccc3nc(N)n(CC4CC4)c3n2)[nH]1
• InChI: InChI=1S/C23H26N6/c1-23(2,3)21-27-18(15-7-5-4-6-8-15)19(28-21)16-11-12-17-20(25-16)29(22(24)26-17)13-14-9-10-14/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,24,26)(H,27,28)
• InChIKey: WCDYSTRXWZVAHK-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 85.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 87616219) is 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine is CC(C)(C)c1nc(-c2ccccc2)c(-c2ccc3nc(N)n(CC4CC4)c3n2)[nH]1.

What is the InChIKey of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine?

The InChIKey is WCDYSTRXWZVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-23(2,3)21-27-18(15-7-5-4-6-8-15)19(28-21)16-11-12-17-20(25-16)29(22(24)26-17)13-14-9-10-14/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,24,26)(H,27,28).

What are the key properties of 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine?

5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-tert-butyl-4-phenyl-1H-imidazol-5-yl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 87616219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).