tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate

C22H27N5O4 — CID 170071189

About tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate

tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate (PubChem CID 170071189) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate
• PubChem CID: 170071189
• Molecular Formula: C22H27N5O4
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.21
• IUPAC Name: tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate
• SMILES: CC(C)Cc1nccc2c1nc(Cn1cccc(NC=O)c1=O)n2C(=O)OC(C)(C)C
• InChI: InChI=1S/C22H27N5O4/c1-14(2)11-16-19-17(8-9-23-16)27(21(30)31-22(3,4)5)18(25-19)12-26-10-6-7-15(20(26)29)24-13-28/h6-10,13-14H,11-12H2,1-5H3,(H,24,28)
• InChIKey: CSVQULXDGNKSAB-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 108.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate?

The IUPAC name of tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate (CID 170071189) is tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate is CC(C)Cc1nccc2c1nc(Cn1cccc(NC=O)c1=O)n2C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate?

The InChIKey is CSVQULXDGNKSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-14(2)11-16-19-17(8-9-23-16)27(21(30)31-22(3,4)5)18(25-19)12-26-10-6-7-15(20(26)29)24-13-28/h6-10,13-14H,11-12H2,1-5H3,(H,24,28).

What are the key properties of tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate?

tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(3-formamido-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropyl)imidazo[4,5-c]pyridine-1-carboxylate is sourced from PubChem (CID 170071189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).