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

C22H29N5O3S — CID 46279068

IUPAC6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H29N5O3S/c1-3-26-20(29)18-13-17(19(28)23-11-10-16-9-6-12-31-16)25-27(18)14-22(26,2)21(30)24-15-7-4-5-8-15/h6,9,12-13,15H,3-5,7-8,10-11,14H2,1-2H3,(H,23,28)(H,24,30)
InChIKeyXMKYMLMEOSAAGT-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.21
Rot. Bonds7

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

6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46279068) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46279068
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C22H29N5O3S/c1-3-26-20(29)18-13-17(19(28)23-11-10-16-9-6-12-31-16)25-27(18)14-22(26,2)21(30)24-15-7-4-5-8-15/h6,9,12-13,15H,3-5,7-8,10-11,14H2,1-2H3,(H,23,28)(H,24,30)
InChIKeyXMKYMLMEOSAAGT-UHFFFAOYSA-N
XLogP2.21
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46279068) is 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is XMKYMLMEOSAAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-3-26-20(29)18-13-17(19(28)23-11-10-16-9-6-12-31-16)25-27(18)14-22(26,2)21(30)24-15-7-4-5-8-15/h6,9,12-13,15H,3-5,7-8,10-11,14H2,1-2H3,(H,23,28)(H,24,30).
What are the key properties of 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46279068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).