7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H27N7O3 — CID 118036234

About 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036234) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036234
• Molecular Formula: C24H27N7O3
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.22
• IUPAC Name: 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(C)n1cnc2cnc(NC(=O)N3CCCc4cc(CN5CCCC5=O)c(C=O)nc43)cc21
• InChI: InChI=1S/C24H27N7O3/c1-15(2)31-14-26-18-11-25-21(10-20(18)31)28-24(34)30-8-3-5-16-9-17(19(13-32)27-23(16)30)12-29-7-4-6-22(29)33/h9-11,13-15H,3-8,12H2,1-2H3,(H,25,28,34)
• InChIKey: YZSKKUJHIVHDJN-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 113.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036234) is 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)n1cnc2cnc(NC(=O)N3CCCc4cc(CN5CCCC5=O)c(C=O)nc43)cc21.

What is the InChIKey of 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is YZSKKUJHIVHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15(2)31-14-26-18-11-25-21(10-20(18)31)28-24(34)30-8-3-5-16-9-17(19(13-32)27-23(16)30)12-29-7-4-6-22(29)33/h9-11,13-15H,3-8,12H2,1-2H3,(H,25,28,34).

What are the key properties of 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).