2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C17H18F3N5O4 — CID 172615619

IUPAC2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C17H18F3N5O4/c18-17(19,20)29-9-6-8(7-9)23-16(27)10-3-4-22-15-12(14(21)26)13(24-25(10)15)11-2-1-5-28-11/h3-4,8-9,11H,1-2,5-7H2,(H2,21,26)(H,23,27)
InChIKeyQXLVTLRHABTIBP-UHFFFAOYSA-N
MW413.36 g/mol
LogP1.48
Rot. Bonds5

About 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615619) has the molecular formula C17H18F3N5O4 and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615619
Molecular FormulaC17H18F3N5O4
Molecular Weight413.36 g/mol
Exact Mass413.13
IUPAC Name2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12
InChIInChI=1S/C17H18F3N5O4/c18-17(19,20)29-9-6-8(7-9)23-16(27)10-3-4-22-15-12(14(21)26)13(24-25(10)15)11-2-1-5-28-11/h3-4,8-9,11H,1-2,5-7H2,(H2,21,26)(H,23,27)
InChIKeyQXLVTLRHABTIBP-UHFFFAOYSA-N
XLogP1.48
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
2-(methoxymethyl)-7-N-[4-(trifluoromethoxy)cyclohexyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615180
2-(methoxymethyl)-7-N-(2,4,4-trifluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615207
2-(methoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615215
2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615217
7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615219
7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615228
2-(fluoromethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615287
2-propyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615314
3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615330
7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615342
2-(ethoxymethyl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615343

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615619) is 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3CC(OC(F)(F)F)C3)ccnc12.
What is the InChIKey of 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is QXLVTLRHABTIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O4/c18-17(19,20)29-9-6-8(7-9)23-16(27)10-3-4-22-15-12(14(21)26)13(24-25(10)15)11-2-1-5-28-11/h3-4,8-9,11H,1-2,5-7H2,(H2,21,26)(H,23,27).
What are the key properties of 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 413.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).