N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H13F3N6O3S — CID 4770530

IUPACN-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc2c(=O)n(NC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccco5)nc34)c(C)nc2s1
InChIInChI=1S/C20H13F3N6O3S/c1-9-6-11-18(33-9)25-10(2)28(19(11)31)27-17(30)12-8-24-29-15(20(21,22)23)7-13(26-16(12)29)14-4-3-5-32-14/h3-8H,1-2H3,(H,27,30)
InChIKeyOFNGEEOXTSJVCA-UHFFFAOYSA-N
MW474.42 g/mol
LogP3.78
Rot. Bonds3

About N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4770530) has the molecular formula C20H13F3N6O3S and a molecular weight of 474.42 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4770530
Molecular FormulaC20H13F3N6O3S
Molecular Weight474.42 g/mol
Exact Mass474.07
IUPAC NameN-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc2c(=O)n(NC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccco5)nc34)c(C)nc2s1
InChIInChI=1S/C20H13F3N6O3S/c1-9-6-11-18(33-9)25-10(2)28(19(11)31)27-17(30)12-8-24-29-15(20(21,22)23)7-13(26-16(12)29)14-4-3-5-32-14/h3-8H,1-2H3,(H,27,30)
InChIKeyOFNGEEOXTSJVCA-UHFFFAOYSA-N
XLogP3.78
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1370067
(3,5-dimethylpyrazol-1-yl)-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4772703
N-[3-(dimethylamino)propyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4771156
N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333526
N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2871894
N-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1369870
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2171094
N-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19575526
5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 6991804
N-(2-cyanoethyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46503108
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 2228775
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 15997015

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4770530) is N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc2c(=O)n(NC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccco5)nc34)c(C)nc2s1.
What is the InChIKey of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OFNGEEOXTSJVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O3S/c1-9-6-11-18(33-9)25-10(2)28(19(11)31)27-17(30)12-8-24-29-15(20(21,22)23)7-13(26-16(12)29)14-4-3-5-32-14/h3-8H,1-2H3,(H,27,30).
What are the key properties of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4770530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).