3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C31H31N7 — CID 171495971

About 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171495971) has the molecular formula C31H31N7 and a molecular weight of 501.64 g/mol. Its IUPAC name is 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171495971
• Molecular Formula: C31H31N7
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.26
• IUPAC Name: 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCNC6(CC6)C5)cc4)c3n2)cc1
• InChI: InChI=1S/C31H31N7/c1-21-4-8-23(9-5-21)26-12-13-27-30(35-26)38(29(36-27)25-3-2-16-33-28(25)32)24-10-6-22(7-11-24)19-37-18-17-34-31(20-37)14-15-31/h2-13,16,34H,14-15,17-20H2,1H3,(H2,32,33)
• InChIKey: BPOGXCBEYFOTEH-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 84.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171495971) is 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCNC6(CC6)C5)cc4)c3n2)cc1.

What is the InChIKey of 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is BPOGXCBEYFOTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7/c1-21-4-8-23(9-5-21)26-12-13-27-30(35-26)38(29(36-27)25-3-2-16-33-28(25)32)24-10-6-22(7-11-24)19-37-18-17-34-31(20-37)14-15-31/h2-13,16,34H,14-15,17-20H2,1H3,(H2,32,33).

What are the key properties of 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 501.64 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(4,7-diazaspiro[2.5]octan-7-ylmethyl)phenyl]-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171495971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).