N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide

C27H26N6O2 — CID 166983834

About N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide

N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide (PubChem CID 166983834) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide
• PubChem CID: 166983834
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide
• SMILES: CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc(-c4cn[nH]c4)cc3)c3ccccn23)c1
• InChI: InChI=1S/C27H26N6O2/c1-18(2)30-25(34)17-35-23-7-5-6-20(14-23)27-32-26(24-8-3-4-13-33(24)27)31-22-11-9-19(10-12-22)21-15-28-29-16-21/h3-16,18,31H,17H2,1-2H3,(H,28,29)(H,30,34)
• InChIKey: LHXOVKFBIQYANO-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 96.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide?

The IUPAC name of N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide (CID 166983834) is N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide.

What is the SMILES notation for N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide?

The canonical SMILES for N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide is CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc(-c4cn[nH]c4)cc3)c3ccccn23)c1.

What is the InChIKey of N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide?

The InChIKey is LHXOVKFBIQYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-18(2)30-25(34)17-35-23-7-5-6-20(14-23)27-32-26(24-8-3-4-13-33(24)27)31-22-11-9-19(10-12-22)21-15-28-29-16-21/h3-16,18,31H,17H2,1-2H3,(H,28,29)(H,30,34).

What are the key properties of N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide?

N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide has a molecular weight of 466.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide is sourced from PubChem (CID 166983834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).