N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H27FN4O3 — CID 46272562

IUPACN-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C25H27FN4O3/c1-25(24(32)27-18-9-4-2-3-5-10-18)16-29-21(15-20(28-29)22-12-7-13-33-22)23(31)30(25)19-11-6-8-17(26)14-19/h6-8,11-15,18H,2-5,9-10,16H2,1H3,(H,27,32)
InChIKeyJRTVEWSQVSOUEZ-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.54
Rot. Bonds4

About N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272562) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272562
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1cccc(F)c1
InChIInChI=1S/C25H27FN4O3/c1-25(24(32)27-18-9-4-2-3-5-10-18)16-29-21(15-20(28-29)22-12-7-13-33-22)23(31)30(25)19-11-6-8-17(26)14-19/h6-8,11-15,18H,2-5,9-10,16H2,1H3,(H,27,32)
InChIKeyJRTVEWSQVSOUEZ-UHFFFAOYSA-N
XLogP4.54
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
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-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272562) is N-cycloheptyl-5-(3-fluorophenyl)-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-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(3-fluorophenyl)-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)N1c1cccc(F)c1.
What is the InChIKey of N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is JRTVEWSQVSOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-25(24(32)27-18-9-4-2-3-5-10-18)16-29-21(15-20(28-29)22-12-7-13-33-22)23(31)30(25)19-11-6-8-17(26)14-19/h6-8,11-15,18H,2-5,9-10,16H2,1H3,(H,27,32).
What are the key properties of N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).