N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C45H40F6N10O2 — CID 144734915

IUPACN-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.Cc1cncc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)c1.Cc1nccc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)c1C
InChIInChI=1S/C22H18F3N5O.C21H16F3N5O.C2H6/c1-12-13(2)26-10-8-17(12)28-21(31)19-14(3)29-30-11-9-18(27-20(19)30)15-6-4-5-7-16(15)22(23,24)25;1-12-9-14(11-25-10-12)26-20(30)18-13(2)28-29-8-7-17(27-19(18)29)15-5-3-4-6-16(15)21(22,23)24;1-2/h4-11H,1-3H3,(H,26,28,31);3-11H,1-2H3,(H,26,30);1-2H3
InChIKeyXOLRRNHHZDCFDA-UHFFFAOYSA-N
MW866.87 g/mol
LogP10.69
Rot. Bonds6

About N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734915) has the molecular formula C45H40F6N10O2 and a molecular weight of 866.87 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144734915
Molecular FormulaC45H40F6N10O2
Molecular Weight866.87 g/mol
Exact Mass866.32
IUPAC NameN-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.Cc1cncc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)c1.Cc1nccc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)c1C
InChIInChI=1S/C22H18F3N5O.C21H16F3N5O.C2H6/c1-12-13(2)26-10-8-17(12)28-21(31)19-14(3)29-30-11-9-18(27-20(19)30)15-6-4-5-7-16(15)22(23,24)25;1-12-9-14(11-25-10-12)26-20(30)18-13(2)28-29-8-7-17(27-19(18)29)15-5-3-4-6-16(15)21(22,23)24;1-2/h4-11H,1-3H3,(H,26,28,31);3-11H,1-2H3,(H,26,30);1-2H3
InChIKeyXOLRRNHHZDCFDA-UHFFFAOYSA-N
XLogP10.69
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.87
LogP ≤ 510.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

GSK-3|A inhibitor 13
CID 134551592
N-[5-(2-Fluorophenyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]-5-({[(3r,4r)-3-Fluoropiperidin-4-Yl]methyl}amino)pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 71307955
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
Jqez5
CID 121322599
5-amino-N-[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063100
5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58182164
US10774086, Example 7
CID 134551551
US10774086, Example 17
CID 134551553
US10774086, Example 2
CID 134551579
US10774086, Example 13
CID 134551589
US10774086, Example 9
CID 134551591
US10774086, Example 25
CID 134551606

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734915) is N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC.Cc1cncc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)c1.Cc1nccc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)c1C.
What is the InChIKey of N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XOLRRNHHZDCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O.C21H16F3N5O.C2H6/c1-12-13(2)26-10-8-17(12)28-21(31)19-14(3)29-30-11-9-18(27-20(19)30)15-6-4-5-7-16(15)22(23,24)25;1-12-9-14(11-25-10-12)26-20(30)18-13(2)28-29-8-7-17(27-19(18)29)15-5-3-4-6-16(15)21(22,23)24;1-2/h4-11H,1-3H3,(H,26,28,31);3-11H,1-2H3,(H,26,30);1-2H3.
What are the key properties of N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 866.87 g/mol, XLogP of 10.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-3-pyridinyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).