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

C16H18F3N5O4 — CID 172615217

IUPAC2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)cc(C)nc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O4/c1-7-3-11(15(26)22-8-4-9(5-8)28-16(17,18)19)24-14(21-7)12(13(20)25)10(23-24)6-27-2/h3,8-9H,4-6H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyNOPOFBJMLUQGHP-UHFFFAOYSA-N
MW401.35 g/mol
LogP1.08
Rot. Bonds6

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

2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615217) has the molecular formula C16H18F3N5O4 and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615217
Molecular FormulaC16H18F3N5O4
Molecular Weight401.35 g/mol
Exact Mass401.13
IUPAC Name2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)cc(C)nc2c1C(N)=O
InChIInChI=1S/C16H18F3N5O4/c1-7-3-11(15(26)22-8-4-9(5-8)28-16(17,18)19)24-14(21-7)12(13(20)25)10(23-24)6-27-2/h3,8-9H,4-6H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyNOPOFBJMLUQGHP-UHFFFAOYSA-N
XLogP1.08
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615217) is 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CC(OC(F)(F)F)C3)cc(C)nc2c1C(N)=O.
What is the InChIKey of 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is NOPOFBJMLUQGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O4/c1-7-3-11(15(26)22-8-4-9(5-8)28-16(17,18)19)24-14(21-7)12(13(20)25)10(23-24)6-27-2/h3,8-9H,4-6H2,1-2H3,(H2,20,25)(H,22,26).
What are the key properties of 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 401.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-methyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).