(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C21H33N5O3 — CID 92743501

IUPAC(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC[C@@H](C)NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O
InChIInChI=1S/C21H33N5O3/c1-5-14(2)22-18(27)16-12-17-19(28)25(4)21(3,13-26(17)24-16)20(29)23-15-10-8-6-7-9-11-15/h12,14-15H,5-11,13H2,1-4H3,(H,22,27)(H,23,29)/t14-,21+/m1/s1
InChIKeyXKKIJCZNWYAXTI-SZNDQCEHSA-N
MW403.53 g/mol
LogP2.09
Rot. Bonds5

About (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743501) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92743501
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC[C@@H](C)NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O
InChIInChI=1S/C21H33N5O3/c1-5-14(2)22-18(27)16-12-17-19(28)25(4)21(3,13-26(17)24-16)20(29)23-15-10-8-6-7-9-11-15/h12,14-15H,5-11,13H2,1-4H3,(H,22,27)(H,23,29)/t14-,21+/m1/s1
InChIKeyXKKIJCZNWYAXTI-SZNDQCEHSA-N
XLogP2.09
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(4-phenylbutan-2-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278778
(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
(6R)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743571
(6S)-6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743572
6-N-cycloheptyl-5,6-dimethyl-2-N-(4-methylcyclohexyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758478
(6R)-6-N-cycloheptyl-2-N-(4-ethylphenyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743519
6-N-cyclopentyl-2-N-[1-(3,4-dihydroxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 143131209
(6S)-6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743426
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)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327

Frequently Asked Questions

What is the IUPAC name of (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743501) is (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC[C@@H](C)NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O.
What is the InChIKey of (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is XKKIJCZNWYAXTI-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-5-14(2)22-18(27)16-12-17-19(28)25(4)21(3,13-26(17)24-16)20(29)23-15-10-8-6-7-9-11-15/h12,14-15H,5-11,13H2,1-4H3,(H,22,27)(H,23,29)/t14-,21+/m1/s1.
What are the key properties of (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 403.53 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-N-[(2R)-butan-2-yl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).