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

C16H17F2N5O3 — CID 172615593

IUPAC7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3CC(F)(F)C3)ccnc12
InChIInChI=1S/C16H17F2N5O3/c17-16(18)6-8(7-16)21-15(25)9-3-4-20-14-11(13(19)24)12(22-23(9)14)10-2-1-5-26-10/h3-4,8,10H,1-2,5-7H2,(H2,19,24)(H,21,25)
InChIKeyPEUWYFAFZMOARW-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.21
Rot. Bonds4

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

7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615593) has the molecular formula C16H17F2N5O3 and a molecular weight of 365.34 g/mol. Its IUPAC name is 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615593
Molecular FormulaC16H17F2N5O3
Molecular Weight365.34 g/mol
Exact Mass365.13
IUPAC Name7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3CC(F)(F)C3)ccnc12
InChIInChI=1S/C16H17F2N5O3/c17-16(18)6-8(7-16)21-15(25)9-3-4-20-14-11(13(19)24)12(22-23(9)14)10-2-1-5-26-10/h3-4,8,10H,1-2,5-7H2,(H2,19,24)(H,21,25)
InChIKeyPEUWYFAFZMOARW-UHFFFAOYSA-N
XLogP1.21
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyrazin-2-yl-N-[1-(trifluoromethyl)cyclobutyl]-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 156248679
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

Frequently Asked Questions

What is the IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615593) is 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3CC(F)(F)C3)ccnc12.
What is the InChIKey of 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is PEUWYFAFZMOARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O3/c17-16(18)6-8(7-16)21-15(25)9-3-4-20-14-11(13(19)24)12(22-23(9)14)10-2-1-5-26-10/h3-4,8,10H,1-2,5-7H2,(H2,19,24)(H,21,25).
What are the key properties of 7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 365.34 g/mol, XLogP of 1.21, 4 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-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).