furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone

C21H16F3N5O3S — CID 6616033

IUPACfuran-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H16F3N5O3S/c22-21(23,24)17-11-13(16-4-2-10-33-16)25-18-12-14(26-29(17)18)19(30)27-5-7-28(8-6-27)20(31)15-3-1-9-32-15/h1-4,9-12H,5-8H2
InChIKeyJPIAKULOPFPPIM-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.67
Rot. Bonds3

About furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 6616033) has the molecular formula C21H16F3N5O3S and a molecular weight of 475.45 g/mol. Its IUPAC name is furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
PubChem CID6616033
Molecular FormulaC21H16F3N5O3S
Molecular Weight475.45 g/mol
Exact Mass475.09
IUPAC Namefuran-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H16F3N5O3S/c22-21(23,24)17-11-13(16-4-2-10-33-16)25-18-12-14(26-29(17)18)19(30)27-5-7-28(8-6-27)20(31)15-3-1-9-32-15/h1-4,9-12H,5-8H2
InChIKeyJPIAKULOPFPPIM-UHFFFAOYSA-N
XLogP3.67
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 56944354
CID 56944354
Anguizole
CID 1046082
5-(2-Furyl)-2-[(4-phenyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1102034
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1101933
3-bromo-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101984
{4-[2-(3-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 1434724
Furan-2-yl-[4-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone
CID 4327987
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
7-(2-(4-(2,4-Difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 20770635
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-furamide
CID 44390169
Furan-2-carboxylic acid (7-methyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen-4-ylmethyl)-thiophen-2-ylmethyl-amide
CID 645364
{4-[2-(3-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 648347

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone (CID 6616033) is furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone is O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is JPIAKULOPFPPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3S/c22-21(23,24)17-11-13(16-4-2-10-33-16)25-18-12-14(26-29(17)18)19(30)27-5-7-28(8-6-27)20(31)15-3-1-9-32-15/h1-4,9-12H,5-8H2.
What are the key properties of furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 475.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 6616033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).