N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H28N4O3S — CID 46272581

IUPACN-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccs1
InChIInChI=1S/C24H28N4O3S/c1-24(23(30)25-17-8-4-2-3-5-9-17)16-28-20(14-19(26-28)21-11-6-12-31-21)22(29)27(24)15-18-10-7-13-32-18/h6-7,10-14,17H,2-5,8-9,15-16H2,1H3,(H,25,30)
InChIKeyQTLUFFRUEWMCHL-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.46
Rot. Bonds5

About N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272581) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272581
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccs1
InChIInChI=1S/C24H28N4O3S/c1-24(23(30)25-17-8-4-2-3-5-9-17)16-28-20(14-19(26-28)21-11-6-12-31-21)22(29)27(24)15-18-10-7-13-32-18/h6-7,10-14,17H,2-5,8-9,15-16H2,1H3,(H,25,30)
InChIKeyQTLUFFRUEWMCHL-UHFFFAOYSA-N
XLogP4.46
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-(furan-2-yl)-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272565
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522202
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738944
N-cycloheptyl-5-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272587
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 71172110
(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738686
(6S)-5-[2-(4-chlorophenyl)ethyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738655
5-cyclohexyl-N-cyclooctyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522207
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272580
(6R)-N-cycloheptyl-5-(4-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738658
N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522198
(6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738602

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272581) is N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccs1.
What is the InChIKey of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is QTLUFFRUEWMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-24(23(30)25-17-8-4-2-3-5-9-17)16-28-20(14-19(26-28)21-11-6-12-31-21)22(29)27(24)15-18-10-7-13-32-18/h6-7,10-14,17H,2-5,8-9,15-16H2,1H3,(H,25,30).
What are the key properties of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).