6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19FN4OS — CID 4130183

IUPAC6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccs3)cnn2c(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C21H19FN4OS/c1-13-18(10-15-5-7-16(22)8-6-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-4-3-9-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27)
InChIKeyUDIYCHJJNVQNLJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.07
Rot. Bonds5

About 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4130183) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4130183
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccs3)cnn2c(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C21H19FN4OS/c1-13-18(10-15-5-7-16(22)8-6-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-4-3-9-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27)
InChIKeyUDIYCHJJNVQNLJ-UHFFFAOYSA-N
XLogP4.07
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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Selitrectinib
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N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
(7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-thiomorpholin-4-yl-methanone
CID 655220
(S)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-(6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 137628686
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4130183) is 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3cccs3)cnn2c(C)c1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UDIYCHJJNVQNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-13-18(10-15-5-7-16(22)8-6-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-4-3-9-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27).
What are the key properties of 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4130183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).