N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17F3N4O3 — CID 129284630

IUPACN-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2O1
InChIInChI=1S/C19H17F3N4O3/c1-18(2)8-11-6-13(15(7-14(11)29-18)28-10-19(20,21)22)25-17(27)12-9-24-26-5-3-4-23-16(12)26/h3-7,9H,8,10H2,1-2H3,(H,25,27)
InChIKeyIINPNLNHPJWGQH-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.64
Rot. Bonds4

About N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284630) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284630
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC NameN-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2O1
InChIInChI=1S/C19H17F3N4O3/c1-18(2)8-11-6-13(15(7-14(11)29-18)28-10-19(20,21)22)25-17(27)12-9-24-26-5-3-4-23-16(12)26/h3-7,9H,8,10H2,1-2H3,(H,25,27)
InChIKeyIINPNLNHPJWGQH-UHFFFAOYSA-N
XLogP3.64
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-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-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284630) is N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC(F)(F)F)cc2O1.
What is the InChIKey of N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IINPNLNHPJWGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-18(2)8-11-6-13(15(7-14(11)29-18)28-10-19(20,21)22)25-17(27)12-9-24-26-5-3-4-23-16(12)26/h3-7,9H,8,10H2,1-2H3,(H,25,27).
What are the key properties of N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-(2,2,2-trifluoroethoxy)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).