4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C17H13F3N6OS — CID 59603981

IUPAC4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCn1cnc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)c1
InChIInChI=1S/C17H13F3N6OS/c1-25-6-13(23-9-25)11-3-21-15-12(4-24-26(15)5-11)10-2-14(28-7-10)16(27)22-8-17(18,19)20/h2-7,9H,8H2,1H3,(H,22,27)
InChIKeySYTUPDMBDULQBO-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.15
Rot. Bonds4

About 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 59603981) has the molecular formula C17H13F3N6OS and a molecular weight of 406.39 g/mol. Its IUPAC name is 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID59603981
Molecular FormulaC17H13F3N6OS
Molecular Weight406.39 g/mol
Exact Mass406.08
IUPAC Name4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCn1cnc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)c1
InChIInChI=1S/C17H13F3N6OS/c1-25-6-13(23-9-25)11-3-21-15-12(4-24-26(15)5-11)10-2-14(28-7-10)16(27)22-8-17(18,19)20/h2-7,9H,8H2,1H3,(H,22,27)
InChIKeySYTUPDMBDULQBO-UHFFFAOYSA-N
XLogP3.15
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 59603981) is 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cn1cnc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)c1.
What is the InChIKey of 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is SYTUPDMBDULQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6OS/c1-25-6-13(23-9-25)11-3-21-15-12(4-24-26(15)5-11)10-2-14(28-7-10)16(27)22-8-17(18,19)20/h2-7,9H,8H2,1H3,(H,22,27).
What are the key properties of 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 59603981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).