N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C42H34F7N11O4 — CID 144734849

IUPACN-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.Cc1cnc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)c(C)n1.Cc1cnc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)c(F)c1
InChIInChI=1S/C20H13F4N5O2.C20H15F3N6O2.C2H6/c1-11-8-14(21)17(25-9-11)28-19(30)13-10-26-29-7-6-15(27-18(13)29)12-4-2-3-5-16(12)31-20(22,23)24;1-11-9-24-17(12(2)26-11)28-19(30)14-10-25-29-8-7-15(27-18(14)29)13-5-3-4-6-16(13)31-20(21,22)23;1-2/h2-10H,1H3,(H,25,28,30);3-10H,1-2H3,(H,24,28,30);1-2H3
InChIKeyJJKIHXZEIQSNSM-UHFFFAOYSA-N
MW889.79 g/mol
LogP9.37
Rot. Bonds8

About N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734849) has the molecular formula C42H34F7N11O4 and a molecular weight of 889.79 g/mol. Its IUPAC name is N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144734849
Molecular FormulaC42H34F7N11O4
Molecular Weight889.79 g/mol
Exact Mass889.27
IUPAC NameN-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.Cc1cnc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)c(C)n1.Cc1cnc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)c(F)c1
InChIInChI=1S/C20H13F4N5O2.C20H15F3N6O2.C2H6/c1-11-8-14(21)17(25-9-11)28-19(30)13-10-26-29-7-6-15(27-18(13)29)12-4-2-3-5-16(12)31-20(22,23)24;1-11-9-24-17(12(2)26-11)28-19(30)14-10-25-29-8-7-15(27-18(14)29)13-5-3-4-6-16(13)31-20(21,22)23;1-2/h2-10H,1H3,(H,25,28,30);3-10H,1-2H3,(H,24,28,30);1-2H3
InChIKeyJJKIHXZEIQSNSM-UHFFFAOYSA-N
XLogP9.37
TPSA175.71 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.79
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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US10774086, Example 24
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7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734849) is N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC.Cc1cnc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)c(C)n1.Cc1cnc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)c(F)c1.
What is the InChIKey of N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JJKIHXZEIQSNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2.C20H15F3N6O2.C2H6/c1-11-8-14(21)17(25-9-11)28-19(30)13-10-26-29-7-6-15(27-18(13)29)12-4-2-3-5-16(12)31-20(22,23)24;1-11-9-24-17(12(2)26-11)28-19(30)14-10-25-29-8-7-15(27-18(14)29)13-5-3-4-6-16(13)31-20(21,22)23;1-2/h2-10H,1H3,(H,25,28,30);3-10H,1-2H3,(H,24,28,30);1-2H3.
What are the key properties of N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 889.79 g/mol, XLogP of 9.37, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylpyrazin-2-yl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).