[(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate

C24H24N4O4 — CID 173494120

About [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate

[(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (PubChem CID 173494120) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

• Compound Name: [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
• PubChem CID: 173494120
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
• SMILES: C/C=C(\C)OC(=O)N(c1ccc(OCC)cc1)c1c(C2CC2)c(=O)c(C#N)c2cc[nH]n12
• InChI: InChI=1S/C24H24N4O4/c1-4-15(3)32-24(30)27(17-8-10-18(11-9-17)31-5-2)23-21(16-6-7-16)22(29)19(14-25)20-12-13-26-28(20)23/h4,8-13,16,26H,5-7H2,1-3H3/b15-4+
• InChIKey: AXRCQGVEVSJICW-SYZQJQIISA-N
• XLogP: 4.97
• TPSA: 99.83 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	432.48
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?

The IUPAC name of [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (CID 173494120) is [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.

What is the SMILES notation for [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?

The canonical SMILES for [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is C/C=C(\C)OC(=O)N(c1ccc(OCC)cc1)c1c(C2CC2)c(=O)c(C#N)c2cc[nH]n12.

What is the InChIKey of [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?

The InChIKey is AXRCQGVEVSJICW-SYZQJQIISA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-15(3)32-24(30)27(17-8-10-18(11-9-17)31-5-2)23-21(16-6-7-16)22(29)19(14-25)20-12-13-26-28(20)23/h4,8-13,16,26H,5-7H2,1-3H3/b15-4+.

What are the key properties of [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?

[(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate has a molecular weight of 432.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-but-2-en-2-yl] N-(4-cyano-6-cyclopropyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 173494120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).