7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C17H19F2N5O3 — CID 172615228

IUPAC7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CC4(C3)CC(F)(F)C4)ccnc2c1C(N)=O
InChIInChI=1S/C17H19F2N5O3/c1-27-6-10-12(13(20)25)14-21-3-2-11(24(14)23-10)15(26)22-9-4-16(5-9)7-17(18,19)8-16/h2-3,9H,4-8H2,1H3,(H2,20,25)(H,22,26)
InChIKeyLUFSRDHHEUEDFX-UHFFFAOYSA-N
MW379.37 g/mol
LogP1.28
Rot. Bonds5

About 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615228) has the molecular formula C17H19F2N5O3 and a molecular weight of 379.37 g/mol. Its IUPAC name is 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615228
Molecular FormulaC17H19F2N5O3
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC Name7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CC4(C3)CC(F)(F)C4)ccnc2c1C(N)=O
InChIInChI=1S/C17H19F2N5O3/c1-27-6-10-12(13(20)25)14-21-3-2-11(24(14)23-10)15(26)22-9-4-16(5-9)7-17(18,19)8-16/h2-3,9H,4-8H2,1H3,(H2,20,25)(H,22,26)
InChIKeyLUFSRDHHEUEDFX-UHFFFAOYSA-N
XLogP1.28
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615228) is 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CC4(C3)CC(F)(F)C4)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is LUFSRDHHEUEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3/c1-27-6-10-12(13(20)25)14-21-3-2-11(24(14)23-10)15(26)22-9-4-16(5-9)7-17(18,19)8-16/h2-3,9H,4-8H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 379.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).