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

C24H24F2N4O3 — CID 46272481

IUPACN-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O3/c1-24(23(32)27-16-6-3-2-4-7-16)14-29-20(13-18(28-29)21-8-5-11-33-21)22(31)30(24)19-10-9-15(25)12-17(19)26/h5,8-13,16H,2-4,6-7,14H2,1H3,(H,27,32)
InChIKeySDEQTVPKAHRCPH-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.29
Rot. Bonds4

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

N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272481) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272481
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC NameN-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O3/c1-24(23(32)27-16-6-3-2-4-7-16)14-29-20(13-18(28-29)21-8-5-11-33-21)22(31)30(24)19-10-9-15(25)12-17(19)26/h5,8-13,16H,2-4,6-7,14H2,1H3,(H,27,32)
InChIKeySDEQTVPKAHRCPH-UHFFFAOYSA-N
XLogP4.29
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272481) is N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1F.
What is the InChIKey of N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SDEQTVPKAHRCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-24(23(32)27-16-6-3-2-4-7-16)14-29-20(13-18(28-29)21-8-5-11-33-21)22(31)30(24)19-10-9-15(25)12-17(19)26/h5,8-13,16H,2-4,6-7,14H2,1H3,(H,27,32).
What are the key properties of N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2,4-difluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).