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

C26H29ClN4O3 — CID 46272559

IUPAC5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C26H29ClN4O3/c1-26(25(33)28-19-10-4-2-3-5-11-19)17-31-22(15-21(29-31)23-13-8-14-34-23)24(32)30(26)16-18-9-6-7-12-20(18)27/h6-9,12-15,19H,2-5,10-11,16-17H2,1H3,(H,28,33)
InChIKeyAODJLDWBLLNQJQ-UHFFFAOYSA-N
MW481.00 g/mol
LogP5.05
Rot. Bonds5

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

5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272559) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272559
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C26H29ClN4O3/c1-26(25(33)28-19-10-4-2-3-5-11-19)17-31-22(15-21(29-31)23-13-8-14-34-23)24(32)30(26)16-18-9-6-7-12-20(18)27/h6-9,12-15,19H,2-5,10-11,16-17H2,1H3,(H,28,33)
InChIKeyAODJLDWBLLNQJQ-UHFFFAOYSA-N
XLogP5.05
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272559) is 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is AODJLDWBLLNQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-26(25(33)28-19-10-4-2-3-5-11-19)17-31-22(15-21(29-31)23-13-8-14-34-23)24(32)30(26)16-18-9-6-7-12-20(18)27/h6-9,12-15,19H,2-5,10-11,16-17H2,1H3,(H,28,33).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).