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

C23H28F3N5O5 — CID 156890588

IUPACN-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCC(OC(F)(F)F)CC3)c12
InChIInChI=1S/C23H28F3N5O5/c1-13(2)12-30-20-14(3-6-17(32)29-9-7-16(8-10-29)36-23(24,25)26)11-27-31(20)22(35)18(21(30)34)19(33)28-15-4-5-15/h3,6,11,13,15-16,34H,4-5,7-10,12H2,1-2H3,(H,28,33)/b6-3+
InChIKeyGDQCUWQKIIFHKF-ZZXKWVIFSA-N
MW511.50 g/mol
LogP2.29
Rot. Bonds7

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

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890588) has the molecular formula C23H28F3N5O5 and a molecular weight of 511.50 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156890588
Molecular FormulaC23H28F3N5O5
Molecular Weight511.50 g/mol
Exact Mass511.20
IUPAC NameN-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCC(OC(F)(F)F)CC3)c12
InChIInChI=1S/C23H28F3N5O5/c1-13(2)12-30-20-14(3-6-17(32)29-9-7-16(8-10-29)36-23(24,25)26)11-27-31(20)22(35)18(21(30)34)19(33)28-15-4-5-15/h3,6,11,13,15-16,34H,4-5,7-10,12H2,1-2H3,(H,28,33)/b6-3+
InChIKeyGDQCUWQKIIFHKF-ZZXKWVIFSA-N
XLogP2.29
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890588) is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCC(OC(F)(F)F)CC3)c12.
What is the InChIKey of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GDQCUWQKIIFHKF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C23H28F3N5O5/c1-13(2)12-30-20-14(3-6-17(32)29-9-7-16(8-10-29)36-23(24,25)26)11-27-31(20)22(35)18(21(30)34)19(33)28-15-4-5-15/h3,6,11,13,15-16,34H,4-5,7-10,12H2,1-2H3,(H,28,33)/b6-3+.
What are the key properties of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[4-(trifluoromethoxy)piperidin-1-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).