N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide

C41H34F6N12O4 — CID 144734829

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCC.Cc1cc(C)nc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)n1.O=C(Nc1cnn2ccc(-c3ccccc3OC(F)(F)F)nc12)c1cc(=O)[nH]cn1
InChIInChI=1S/C21H17F3N6O.C18H11F3N6O3.C2H6/c1-11-10-12(2)26-20(25-11)28-19(31)17-13(3)29-30-9-8-16(27-18(17)30)14-6-4-5-7-15(14)21(22,23)24;19-18(20,21)30-14-4-2-1-3-10(14)11-5-6-27-16(25-11)13(8-24-27)26-17(29)12-7-15(28)23-9-22-12;1-2/h4-10H,1-3H3,(H,25,26,28,31);1-9H,(H,26,29)(H,22,23,28);1-2H3
InChIKeyDFTFYRXHFIBPOR-UHFFFAOYSA-N
MW872.79 g/mol
LogP8.04
Rot. Bonds7

About N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 144734829) has the molecular formula C41H34F6N12O4 and a molecular weight of 872.79 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID144734829
Molecular FormulaC41H34F6N12O4
Molecular Weight872.79 g/mol
Exact Mass872.27
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCC.Cc1cc(C)nc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)n1.O=C(Nc1cnn2ccc(-c3ccccc3OC(F)(F)F)nc12)c1cc(=O)[nH]cn1
InChIInChI=1S/C21H17F3N6O.C18H11F3N6O3.C2H6/c1-11-10-12(2)26-20(25-11)28-19(31)17-13(3)29-30-9-8-16(27-18(17)30)14-6-4-5-7-15(14)21(22,23)24;19-18(20,21)30-14-4-2-1-3-10(14)11-5-6-27-16(25-11)13(8-24-27)26-17(29)12-7-15(28)23-9-22-12;1-2/h4-10H,1-3H3,(H,25,26,28,31);1-9H,(H,26,29)(H,22,23,28);1-2H3
InChIKeyDFTFYRXHFIBPOR-UHFFFAOYSA-N
XLogP8.04
TPSA199.34 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.79
LogP ≤ 58.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

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CID 118522534
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N-[4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide (CID 144734829) is N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide is CC.Cc1cc(C)nc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)n1.O=C(Nc1cnn2ccc(-c3ccccc3OC(F)(F)F)nc12)c1cc(=O)[nH]cn1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is DFTFYRXHFIBPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O.C18H11F3N6O3.C2H6/c1-11-10-12(2)26-20(25-11)28-19(31)17-13(3)29-30-9-8-16(27-18(17)30)14-6-4-5-7-15(14)21(22,23)24;19-18(20,21)30-14-4-2-1-3-10(14)11-5-6-27-16(25-11)13(8-24-27)26-17(29)12-7-15(28)23-9-22-12;1-2/h4-10H,1-3H3,(H,25,26,28,31);1-9H,(H,26,29)(H,22,23,28);1-2H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 872.79 g/mol, XLogP of 8.04, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;6-oxo-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 144734829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).