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

C17H21F2N5O3 — CID 172615119

IUPAC7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(F)(F)CC3)cc(C)nc2c1C(N)=O
InChIInChI=1S/C17H21F2N5O3/c1-9-7-12(16(26)22-10-3-5-17(18,19)6-4-10)24-15(21-9)13(14(20)25)11(23-24)8-27-2/h7,10H,3-6,8H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyMGJXOQISNMNUCA-UHFFFAOYSA-N
MW381.38 g/mol
LogP1.59
Rot. Bonds5

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

7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615119) has the molecular formula C17H21F2N5O3 and a molecular weight of 381.38 g/mol. Its IUPAC name is 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615119
Molecular FormulaC17H21F2N5O3
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC Name7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)NC3CCC(F)(F)CC3)cc(C)nc2c1C(N)=O
InChIInChI=1S/C17H21F2N5O3/c1-9-7-12(16(26)22-10-3-5-17(18,19)6-4-10)24-15(21-9)13(14(20)25)11(23-24)8-27-2/h7,10H,3-6,8H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyMGJXOQISNMNUCA-UHFFFAOYSA-N
XLogP1.59
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.59
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)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615119) is 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)NC3CCC(F)(F)CC3)cc(C)nc2c1C(N)=O.
What is the InChIKey of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is MGJXOQISNMNUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O3/c1-9-7-12(16(26)22-10-3-5-17(18,19)6-4-10)24-15(21-9)13(14(20)25)11(23-24)8-27-2/h7,10H,3-6,8H2,1-2H3,(H2,20,25)(H,22,26).
What are the key properties of 7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 381.38 g/mol, XLogP of 1.59, 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)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).