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

C26H29FN4O3 — CID 46272583

IUPACN-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C26H29FN4O3/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)
InChIKeyKTBRMPUNEWKRFZ-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.54
Rot. Bonds5

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

N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272583) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272583
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C26H29FN4O3/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)
InChIKeyKTBRMPUNEWKRFZ-UHFFFAOYSA-N
XLogP4.54
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272583) is N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(2-fluorophenyl)methyl]-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)N1Cc1ccccc1F.
What is the InChIKey of N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is KTBRMPUNEWKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/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 N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).