N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine

C32H36N6 — CID 139222504

About N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 139222504) has the molecular formula C32H36N6 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 139222504
• Molecular Formula: C32H36N6
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.30
• IUPAC Name: N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
• SMILES: c1ccn2c(NC3CCCCC3)c(-c3ccc(-c4nc5ccccn5c4NC4CCCCC4)cc3)nc2c1
• InChI: InChI=1S/C32H36N6/c1-3-11-25(12-4-1)33-31-29(35-27-15-7-9-21-37(27)31)23-17-19-24(20-18-23)30-32(34-26-13-5-2-6-14-26)38-22-10-8-16-28(38)36-30/h7-10,15-22,25-26,33-34H,1-6,11-14H2
• InChIKey: NYBQXQJEGOQEAD-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 58.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine (CID 139222504) is N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine is c1ccn2c(NC3CCCCC3)c(-c3ccc(-c4nc5ccccn5c4NC4CCCCC4)cc3)nc2c1.

What is the InChIKey of N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?

The InChIKey is NYBQXQJEGOQEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6/c1-3-11-25(12-4-1)33-31-29(35-27-15-7-9-21-37(27)31)23-17-19-24(20-18-23)30-32(34-26-13-5-2-6-14-26)38-22-10-8-16-28(38)36-30/h7-10,15-22,25-26,33-34H,1-6,11-14H2.

What are the key properties of N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine?

N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 504.68 g/mol, XLogP of 7.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 139222504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).