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

C22H32FN5O3 — CID 71172156

IUPAC2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2CC1(CF)C(=O)NC1CCCC1
InChIInChI=1S/C22H32FN5O3/c1-27-20(30)18-12-17(19(29)24-15-8-4-2-3-5-9-15)26-28(18)14-22(27,13-23)21(31)25-16-10-6-7-11-16/h12,15-16H,2-11,13-14H2,1H3,(H,24,29)(H,25,31)
InChIKeySHRGMNAIMOFFDJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.19
Rot. Bonds5

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

2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 71172156) has the molecular formula C22H32FN5O3 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID71172156
Molecular FormulaC22H32FN5O3
Molecular Weight433.53 g/mol
Exact Mass433.25
IUPAC Name2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2CC1(CF)C(=O)NC1CCCC1
InChIInChI=1S/C22H32FN5O3/c1-27-20(30)18-12-17(19(29)24-15-8-4-2-3-5-9-15)26-28(18)14-22(27,13-23)21(31)25-16-10-6-7-11-16/h12,15-16H,2-11,13-14H2,1H3,(H,24,29)(H,25,31)
InChIKeySHRGMNAIMOFFDJ-UHFFFAOYSA-N
XLogP2.19
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
6-N-cyclohexyl-5,6-dimethyl-4-oxo-2-N-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919434
2-N-[(4-chlorophenyl)methyl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758464
(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
(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

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 71172156) is 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NC3CCCCCC3)nn2CC1(CF)C(=O)NC1CCCC1.
What is the InChIKey of 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is SHRGMNAIMOFFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN5O3/c1-27-20(30)18-12-17(19(29)24-15-8-4-2-3-5-9-15)26-28(18)14-22(27,13-23)21(31)25-16-10-6-7-11-16/h12,15-16H,2-11,13-14H2,1H3,(H,24,29)(H,25,31).
What are the key properties of 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 433.53 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-6-N-cyclopentyl-6-(fluoromethyl)-5-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 71172156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).