N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H28N6O2 — CID 58374654

About N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374654) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 58374654
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CC(=O)N(C)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
• InChI: InChI=1S/C24H28N6O2/c1-16(31)28(2)20-12-13-29(15-20)14-17-6-8-18(9-7-17)21-4-3-5-22-25-24(27-30(21)22)26-23(32)19-10-11-19/h3-9,19-20H,10-15H2,1-2H3,(H,26,27,32)
• InChIKey: HRRSPEDHCQKNHJ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 82.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374654) is N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(=O)N(C)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.

What is the InChIKey of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is HRRSPEDHCQKNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16(31)28(2)20-12-13-29(15-20)14-17-6-8-18(9-7-17)21-4-3-5-22-25-24(27-30(21)22)26-23(32)19-10-11-19/h3-9,19-20H,10-15H2,1-2H3,(H,26,27,32).

What are the key properties of N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).