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

C17H20F3N5O4 — CID 172615180

IUPAC2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(OC(F)(F)F)CC3)ccnc2c1C(N)=O
InChIInChI=1S/C17H20F3N5O4/c1-28-8-11-13(14(21)26)15-22-7-6-12(25(15)24-11)16(27)23-9-2-4-10(5-3-9)29-17(18,19)20/h6-7,9-10H,2-5,8H2,1H3,(H2,21,26)(H,23,27)
InChIKeyOBOWAKAVAJXGFC-UHFFFAOYSA-N
MW415.37 g/mol
LogP1.55
Rot. Bonds6

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

2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615180) has the molecular formula C17H20F3N5O4 and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615180
Molecular FormulaC17H20F3N5O4
Molecular Weight415.37 g/mol
Exact Mass415.15
IUPAC Name2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(OC(F)(F)F)CC3)ccnc2c1C(N)=O
InChIInChI=1S/C17H20F3N5O4/c1-28-8-11-13(14(21)26)15-22-7-6-12(25(15)24-11)16(27)23-9-2-4-10(5-3-9)29-17(18,19)20/h6-7,9-10H,2-5,8H2,1H3,(H2,21,26)(H,23,27)
InChIKeyOBOWAKAVAJXGFC-UHFFFAOYSA-N
XLogP1.55
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615180) is 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CCC(OC(F)(F)F)CC3)ccnc2c1C(N)=O.
What is the InChIKey of 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is OBOWAKAVAJXGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O4/c1-28-8-11-13(14(21)26)15-22-7-6-12(25(15)24-11)16(27)23-9-2-4-10(5-3-9)29-17(18,19)20/h6-7,9-10H,2-5,8H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of 2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 415.37 g/mol, XLogP of 1.55, 6 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-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).