(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C22H36N6O3 — CID 93302951

IUPAC(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O
InChIInChI=1S/C22H36N6O3/c1-6-27-11-7-8-16(27)13-24-19(29)17-12-18-20(30)26(5)22(4,14-28(18)25-17)21(31)23-10-9-15(2)3/h12,15-16H,6-11,13-14H2,1-5H3,(H,23,31)(H,24,29)/t16-,22-/m0/s1
InChIKeyJZVHDEAURCVOLW-AOMKIAJQSA-N
MW432.57 g/mol
LogP1.10
Rot. Bonds8

About (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 93302951) has the molecular formula C22H36N6O3 and a molecular weight of 432.57 g/mol. Its IUPAC name is (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID93302951
Molecular FormulaC22H36N6O3
Molecular Weight432.57 g/mol
Exact Mass432.28
IUPAC Name(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O
InChIInChI=1S/C22H36N6O3/c1-6-27-11-7-8-16(27)13-24-19(29)17-12-18-20(30)26(5)22(4,14-28(18)25-17)21(31)23-10-9-15(2)3/h12,15-16H,6-11,13-14H2,1-5H3,(H,23,31)(H,24,29)/t16-,22-/m0/s1
InChIKeyJZVHDEAURCVOLW-AOMKIAJQSA-N
XLogP1.10
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278872
2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278849
(6S)-5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743740
(6R)-6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743229
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-(3-piperidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278753
(6R)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743830
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
6-N-benzyl-2-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278912
(6S)-6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-[[(2R)-oxolan-2-yl]methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743546
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743991
ethyl (6R)-5-(4-ethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734937

Frequently Asked Questions

What is the IUPAC name of (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 93302951) is (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCN1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O.
What is the InChIKey of (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is JZVHDEAURCVOLW-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H36N6O3/c1-6-27-11-7-8-16(27)13-24-19(29)17-12-18-20(30)26(5)22(4,14-28(18)25-17)21(31)23-10-9-15(2)3/h12,15-16H,6-11,13-14H2,1-5H3,(H,23,31)(H,24,29)/t16-,22-/m0/s1.
What are the key properties of (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 432.57 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 93302951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).