7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C16H19F2N5O3 — CID 172615342

IUPAC7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(F)(F)CC3)ccnc2c1C(N)=O
InChIInChI=1S/C16H19F2N5O3/c1-26-8-10-12(13(19)24)14-20-7-4-11(23(14)22-10)15(25)21-9-2-5-16(17,18)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H2,19,24)(H,21,25)
InChIKeyVNBSAHNKXYKCOJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.28
Rot. Bonds5

About 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615342) has the molecular formula C16H19F2N5O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615342
Molecular FormulaC16H19F2N5O3
Molecular Weight367.36 g/mol
Exact Mass367.15
IUPAC Name7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(F)(F)CC3)ccnc2c1C(N)=O
InChIInChI=1S/C16H19F2N5O3/c1-26-8-10-12(13(19)24)14-20-7-4-11(23(14)22-10)15(25)21-9-2-5-16(17,18)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H2,19,24)(H,21,25)
InChIKeyVNBSAHNKXYKCOJ-UHFFFAOYSA-N
XLogP1.28
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615342) is 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CCC(F)(F)CC3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is VNBSAHNKXYKCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O3/c1-26-8-10-12(13(19)24)14-20-7-4-11(23(14)22-10)15(25)21-9-2-5-16(17,18)6-3-9/h4,7,9H,2-3,5-6,8H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 367.36 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-(4,4-difluorocyclohexyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).