2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde

C30H25N5O — CID 174504720

About 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde

2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde (PubChem CID 174504720) has the molecular formula C30H25N5O and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
• PubChem CID: 174504720
• Molecular Formula: C30H25N5O
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.21
• IUPAC Name: 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
• SMILES: O=CC1NC=Cc2nc(-c3ccc(CNCc4cn5ccccc5n4)cc3)c(-c3ccccc3)cc21
• InChI: InChI=1S/C30H25N5O/c36-20-28-26-16-25(22-6-2-1-3-7-22)30(34-27(26)13-14-32-28)23-11-9-21(10-12-23)17-31-18-24-19-35-15-5-4-8-29(35)33-24/h1-16,19-20,28,31-32H,17-18H2
• InChIKey: OOCIOQBZXCGACG-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde?

The IUPAC name of 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde (CID 174504720) is 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde.

What is the SMILES notation for 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde?

The canonical SMILES for 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde is O=CC1NC=Cc2nc(-c3ccc(CNCc4cn5ccccc5n4)cc3)c(-c3ccccc3)cc21.

What is the InChIKey of 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde?

The InChIKey is OOCIOQBZXCGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O/c36-20-28-26-16-25(22-6-2-1-3-7-22)30(34-27(26)13-14-32-28)23-11-9-21(10-12-23)17-31-18-24-19-35-15-5-4-8-29(35)33-24/h1-16,19-20,28,31-32H,17-18H2.

What are the key properties of 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde?

2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde has a molecular weight of 471.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde is sourced from PubChem (CID 174504720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).