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

C17H10F3N5OS — CID 17020757

IUPACN-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H10F3N5OS/c18-17(19,20)14-7-11(13-4-2-6-27-13)23-15-8-12(24-25(14)15)16(26)22-10-3-1-5-21-9-10/h1-9H,(H,22,26)
InChIKeyZCSACRLNBBFKAT-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.12
Rot. Bonds3

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

N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17020757) has the molecular formula C17H10F3N5OS and a molecular weight of 389.36 g/mol. Its IUPAC name is N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17020757
Molecular FormulaC17H10F3N5OS
Molecular Weight389.36 g/mol
Exact Mass389.06
IUPAC NameN-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H10F3N5OS/c18-17(19,20)14-7-11(13-4-2-6-27-13)23-15-8-12(24-25(14)15)16(26)22-10-3-1-5-21-9-10/h1-9H,(H,22,26)
InChIKeyZCSACRLNBBFKAT-UHFFFAOYSA-N
XLogP4.12
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 17020757) is N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccnc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZCSACRLNBBFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5OS/c18-17(19,20)14-7-11(13-4-2-6-27-13)23-15-8-12(24-25(14)15)16(26)22-10-3-1-5-21-9-10/h1-9H,(H,22,26).
What are the key properties of N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17020757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).