5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H11ClF3N5OS — CID 999310

IUPAC5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H11ClF3N5OS/c19-15-4-3-13(29-15)11-6-14(18(20,21)22)27-16(25-11)7-12(26-27)17(28)24-9-10-2-1-5-23-8-10/h1-8H,9H2,(H,24,28)
InChIKeyAJGZGKVJMLOYMH-UHFFFAOYSA-N
MW437.83 g/mol
LogP4.45
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 999310) has the molecular formula C18H11ClF3N5OS and a molecular weight of 437.83 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID999310
Molecular FormulaC18H11ClF3N5OS
Molecular Weight437.83 g/mol
Exact Mass437.03
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H11ClF3N5OS/c19-15-4-3-13(29-15)11-6-14(18(20,21)22)27-16(25-11)7-12(26-27)17(28)24-9-10-2-1-5-23-8-10/h1-8H,9H2,(H,24,28)
InChIKeyAJGZGKVJMLOYMH-UHFFFAOYSA-N
XLogP4.45
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-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

Related Compounds

N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-(1-benzylpiperidin-4-yl)-5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000261
US10100058, Example 275
CID 134539929
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 999432
5-(5-ethylthiophen-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 999629
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
N-(pyridin-3-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17020757
[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl][3,4-dihydro-1(2H)-quinolinyl]methanone
CID 1232659

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 999310) is 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1cccnc1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AJGZGKVJMLOYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5OS/c19-15-4-3-13(29-15)11-6-14(18(20,21)22)27-16(25-11)7-12(26-27)17(28)24-9-10-2-1-5-23-8-10/h1-8H,9H2,(H,24,28).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 437.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 999310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).