N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H24FN5O4 — CID 156890497

About N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890497) has the molecular formula C20H24FN5O4 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156890497
• Molecular Formula: C20H24FN5O4
• Molecular Weight: 417.44 g/mol
• Exact Mass: 417.18
• IUPAC Name: N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CC(F)C3)c12
• InChI: InChI=1S/C20H24FN5O4/c1-11(2)8-25-18-12(3-6-15(27)24-9-13(21)10-24)7-22-26(18)20(30)16(19(25)29)17(28)23-14-4-5-14/h3,6-7,11,13-14,29H,4-5,8-10H2,1-2H3,(H,23,28)/b6-3+
• InChIKey: WVLULPRHRRDZRM-ZZXKWVIFSA-N
• XLogP: 0.94
• TPSA: 108.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.44
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890497) is N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CC(F)C3)c12.

What is the InChIKey of N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is WVLULPRHRRDZRM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H24FN5O4/c1-11(2)8-25-18-12(3-6-15(27)24-9-13(21)10-24)7-22-26(18)20(30)16(19(25)29)17(28)23-14-4-5-14/h3,6-7,11,13-14,29H,4-5,8-10H2,1-2H3,(H,23,28)/b6-3+.

What are the key properties of N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[(E)-3-(3-fluoroazetidin-1-yl)-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).