3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C32H37N7 — CID 171494459

About 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171494459) has the molecular formula C32H37N7 and a molecular weight of 519.70 g/mol. Its IUPAC name is 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171494459
• Molecular Formula: C32H37N7
• Molecular Weight: 519.70 g/mol
• Exact Mass: 519.31
• IUPAC Name: 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: C/C=C(\C=C/CC)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN4CCC5(CC4)CNC5)cc3)c2n1
• InChI: InChI=1S/C32H37N7/c1-3-5-7-24(4-2)27-13-14-28-31(36-27)39(30(37-28)26-8-6-17-35-29(26)33)25-11-9-23(10-12-25)20-38-18-15-32(16-19-38)21-34-22-32/h4-14,17,34H,3,15-16,18-22H2,1-2H3,(H2,33,35)/b7-5-,24-4+
• InChIKey: NUJVCTBIUKAFAU-QNIZFLJESA-N
• XLogP: 5.62
• TPSA: 84.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.70
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171494459) is 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is C/C=C(\C=C/CC)c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN4CCC5(CC4)CNC5)cc3)c2n1.

What is the InChIKey of 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is NUJVCTBIUKAFAU-QNIZFLJESA-N. The full InChI is InChI=1S/C32H37N7/c1-3-5-7-24(4-2)27-13-14-28-31(36-27)39(30(37-28)26-8-6-17-35-29(26)33)25-11-9-23(10-12-25)20-38-18-15-32(16-19-38)21-34-22-32/h4-14,17,34H,3,15-16,18-22H2,1-2H3,(H2,33,35)/b7-5-,24-4+.

What are the key properties of 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 519.70 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]-5-[(2E,4Z)-hepta-2,4-dien-3-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171494459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).