2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H13F3N6O3 — CID 172615225

IUPAC2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1C(N)=O
InChIInChI=1S/C16H13F3N6O3/c1-28-7-9-12(13(20)26)14-22-5-3-10(25(14)24-9)15(27)23-11-6-8(2-4-21-11)16(17,18)19/h2-6H,7H2,1H3,(H2,20,26)(H,21,23,27)
InChIKeyMPKPBRFPLKIHMR-UHFFFAOYSA-N
MW394.31 g/mol
LogP1.64
Rot. Bonds5

About 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615225) has the molecular formula C16H13F3N6O3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615225
Molecular FormulaC16H13F3N6O3
Molecular Weight394.31 g/mol
Exact Mass394.10
IUPAC Name2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1C(N)=O
InChIInChI=1S/C16H13F3N6O3/c1-28-7-9-12(13(20)26)14-22-5-3-10(25(14)24-9)15(27)23-11-6-8(2-4-21-11)16(17,18)19/h2-6H,7H2,1H3,(H2,20,26)(H,21,23,27)
InChIKeyMPKPBRFPLKIHMR-UHFFFAOYSA-N
XLogP1.64
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate
CID 144825954
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 23329844
3-[methyl-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]propanoic acid
CID 122089428
N-pyrimidin-4-yl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71525658

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615225) is 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1C(N)=O.
What is the InChIKey of 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is MPKPBRFPLKIHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O3/c1-28-7-9-12(13(20)26)14-22-5-3-10(25(14)24-9)15(27)23-11-6-8(2-4-21-11)16(17,18)19/h2-6H,7H2,1H3,(H2,20,26)(H,21,23,27).
What are the key properties of 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 394.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).