6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C23H31N5O3S — CID 46279133

IUPAC6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H31N5O3S/c1-3-12-27-21(30)19-14-18(20(29)24-11-10-17-9-6-13-32-17)26-28(19)15-23(27,2)22(31)25-16-7-4-5-8-16/h6,9,13-14,16H,3-5,7-8,10-12,15H2,1-2H3,(H,24,29)(H,25,31)
InChIKeyCPUMAIGEQKCRKU-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.60
Rot. Bonds8

About 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46279133) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46279133
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC Name6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H31N5O3S/c1-3-12-27-21(30)19-14-18(20(29)24-11-10-17-9-6-13-32-17)26-28(19)15-23(27,2)22(31)25-16-7-4-5-8-16/h6,9,13-14,16H,3-5,7-8,10-12,15H2,1-2H3,(H,24,29)(H,25,31)
InChIKeyCPUMAIGEQKCRKU-UHFFFAOYSA-N
XLogP2.60
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46279133) is 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is CPUMAIGEQKCRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-3-12-27-21(30)19-14-18(20(29)24-11-10-17-9-6-13-32-17)26-28(19)15-23(27,2)22(31)25-16-7-4-5-8-16/h6,9,13-14,16H,3-5,7-8,10-12,15H2,1-2H3,(H,24,29)(H,25,31).
What are the key properties of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 457.60 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46279133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).