5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H18F3N5O3 — CID 6615978

IUPAC5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1
InChIInChI=1S/C25H18F3N5O3/c26-25(27,28)22-10-18(14-5-6-20-21(9-14)36-13-35-20)31-23-11-19(32-33(22)23)24(34)29-8-7-15-12-30-17-4-2-1-3-16(15)17/h1-6,9-12,30H,7-8,13H2,(H,29,34)
InChIKeyBXDFYMFQQRYQIC-UHFFFAOYSA-N
MW493.45 g/mol
LogP4.60
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 6615978) has the molecular formula C25H18F3N5O3 and a molecular weight of 493.45 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID6615978
Molecular FormulaC25H18F3N5O3
Molecular Weight493.45 g/mol
Exact Mass493.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1
InChIInChI=1S/C25H18F3N5O3/c26-25(27,28)22-10-18(14-5-6-20-21(9-14)36-13-35-20)31-23-11-19(32-33(22)23)24(34)29-8-7-15-12-30-17-4-2-1-3-16(15)17/h1-6,9-12,30H,7-8,13H2,(H,29,34)
InChIKeyBXDFYMFQQRYQIC-UHFFFAOYSA-N
XLogP4.60
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 6615978) is 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BXDFYMFQQRYQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O3/c26-25(27,28)22-10-18(14-5-6-20-21(9-14)36-13-35-20)31-23-11-19(32-33(22)23)24(34)29-8-7-15-12-30-17-4-2-1-3-16(15)17/h1-6,9-12,30H,7-8,13H2,(H,29,34).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 493.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 6615978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).