6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

C20H24N6O3S — CID 91891302

IUPAC6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H24N6O3S/c1-14-13-26-18(19(23-14)25-10-2-3-11-25)12-17(24-26)20(27)22-9-8-15-4-6-16(7-5-15)30(21,28)29/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,27)(H2,21,28,29)
InChIKeyVHSGEEWFQKZJOS-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.26
Rot. Bonds6

About 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891302) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891302
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H24N6O3S/c1-14-13-26-18(19(23-14)25-10-2-3-11-25)12-17(24-26)20(27)22-9-8-15-4-6-16(7-5-15)30(21,28)29/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,27)(H2,21,28,29)
InChIKeyVHSGEEWFQKZJOS-UHFFFAOYSA-N
XLogP1.26
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891302) is 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is VHSGEEWFQKZJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-14-13-26-18(19(23-14)25-10-2-3-11-25)12-17(24-26)20(27)22-9-8-15-4-6-16(7-5-15)30(21,28)29/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,27)(H2,21,28,29).
What are the key properties of 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrrolidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).