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

C21H24F3N5O5 — CID 156890665

IUPACN-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCOCC3)c12)C(F)(F)F
InChIInChI=1S/C21H24F3N5O5/c1-12(21(22,23)24)11-28-18-13(2-5-15(30)27-6-8-34-9-7-27)10-25-29(18)20(33)16(19(28)32)17(31)26-14-3-4-14/h2,5,10,12,14,32H,3-4,6-9,11H2,1H3,(H,26,31)/b5-2+
InChIKeyZEPWELFZPQJJGM-GORDUTHDSA-N
MW483.45 g/mol
LogP1.16
Rot. Bonds6

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

N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890665) has the molecular formula C21H24F3N5O5 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156890665
Molecular FormulaC21H24F3N5O5
Molecular Weight483.45 g/mol
Exact Mass483.17
IUPAC NameN-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCOCC3)c12)C(F)(F)F
InChIInChI=1S/C21H24F3N5O5/c1-12(21(22,23)24)11-28-18-13(2-5-15(30)27-6-8-34-9-7-27)10-25-29(18)20(33)16(19(28)32)17(31)26-14-3-4-14/h2,5,10,12,14,32H,3-4,6-9,11H2,1H3,(H,26,31)/b5-2+
InChIKeyZEPWELFZPQJJGM-GORDUTHDSA-N
XLogP1.16
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890665) is N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCOCC3)c12)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZEPWELFZPQJJGM-GORDUTHDSA-N. The full InChI is InChI=1S/C21H24F3N5O5/c1-12(21(22,23)24)11-28-18-13(2-5-15(30)27-6-8-34-9-7-27)10-25-29(18)20(33)16(19(28)32)17(31)26-14-3-4-14/h2,5,10,12,14,32H,3-4,6-9,11H2,1H3,(H,26,31)/b5-2+.
What are the key properties of N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-hydroxy-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxo-4-(3,3,3-trifluoro-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).