N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H24ClN5O3 — CID 44824800

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824800) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 44824800
• Molecular Formula: C23H24ClN5O3
• Molecular Weight: 453.93 g/mol
• Exact Mass: 453.16
• IUPAC Name: N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(-c2noc3nc(C)cc(C(=O)NCCCn4nc(C)c(Cl)c4C)c23)cc1
• InChI: InChI=1S/C23H24ClN5O3/c1-13-12-18(22(30)25-10-5-11-29-15(3)20(24)14(2)27-29)19-21(28-32-23(19)26-13)16-6-8-17(31-4)9-7-16/h6-9,12H,5,10-11H2,1-4H3,(H,25,30)
• InChIKey: LFAZRJZXGRUUIO-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.93
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824800) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2noc3nc(C)cc(C(=O)NCCCn4nc(C)c(Cl)c4C)c23)cc1.

What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is LFAZRJZXGRUUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-13-12-18(22(30)25-10-5-11-29-15(3)20(24)14(2)27-29)19-21(28-32-23(19)26-13)16-6-8-17(31-4)9-7-16/h6-9,12H,5,10-11H2,1-4H3,(H,25,30).

What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methoxyphenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).