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

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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).