N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C29H26N4O4 — CID 50756685

IUPACN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C29H26N4O4/c1-29(28(35)30-18-20-8-4-2-5-9-20)19-32-24(17-23(31-32)21-10-6-3-7-11-21)27(34)33(29)22-12-13-25-26(16-22)37-15-14-36-25/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,35)
InChIKeyKUNSODCRJLPJMI-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756685) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756685
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC NameN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C29H26N4O4/c1-29(28(35)30-18-20-8-4-2-5-9-20)19-32-24(17-23(31-32)21-10-6-3-7-11-21)27(34)33(29)22-12-13-25-26(16-22)37-15-14-36-25/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,35)
InChIKeyKUNSODCRJLPJMI-UHFFFAOYSA-N
XLogP4.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756685) is N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is KUNSODCRJLPJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-29(28(35)30-18-20-8-4-2-5-9-20)19-32-24(17-23(31-32)21-10-6-3-7-11-21)27(34)33(29)22-12-13-25-26(16-22)37-15-14-36-25/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,35).
What are the key properties of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).