7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H19F2N5O3 — CID 172615168

IUPAC7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCC(C)OCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C16H19F2N5O3/c1-8(2)26-7-10-12(13(19)24)14-20-4-3-11(23(14)22-10)15(25)21-9-5-16(17,18)6-9/h3-4,8-9H,5-7H2,1-2H3,(H2,19,24)(H,21,25)
InChIKeyYCBAHAGYEBEWKE-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.28
Rot. Bonds6

About 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615168) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615168
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC Name7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCC(C)OCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C16H19F2N5O3/c1-8(2)26-7-10-12(13(19)24)14-20-4-3-11(23(14)22-10)15(25)21-9-5-16(17,18)6-9/h3-4,8-9H,5-7H2,1-2H3,(H2,19,24)(H,21,25)
InChIKeyYCBAHAGYEBEWKE-UHFFFAOYSA-N
XLogP1.28
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)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 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615168) is 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CC(C)OCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is YCBAHAGYEBEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-8(2)26-7-10-12(13(19)24)14-20-4-3-11(23(14)22-10)15(25)21-9-5-16(17,18)6-9/h3-4,8-9H,5-7H2,1-2H3,(H2,19,24)(H,21,25).
What are the key properties of 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 367.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).