(6S)-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 92739088

IUPAC(6S)-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
SMILESC[C@@]1(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)/t29-/m0/s1
InChIKeyKUNSODCRJLPJMI-LJAQVGFWSA-N
MW494.55 g/mol
LogP4.06
Rot. Bonds5

About (6S)-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

(6S)-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 92739088) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is (6S)-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 Name(6S)-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 CID92739088
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name(6S)-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
SMILESC[C@@]1(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)/t29-/m0/s1
InChIKeyKUNSODCRJLPJMI-LJAQVGFWSA-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

Analyze (6S)-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 with MolForge

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Related Compounds

(6S)-N-benzyl-5-(4-chlorophenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739052
(6S)-N-benzyl-5-(3,5-dimethylphenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739076
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049507
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739347
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
(6R)-N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739051
N,5-dibenzyl-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756726
(6R)-N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739328
N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756510
(6R)-N-benzyl-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739113
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739319
N-benzyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049318

Frequently Asked Questions

What is the IUPAC name of (6S)-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 (6S)-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 92739088) is (6S)-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 (6S)-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 (6S)-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 C[C@@]1(C(=O)NCc2ccccc2)Cn2nc(-c3ccccc3)cc2C(=O)N1c1ccc2c(c1)OCCO2.
What is the InChIKey of (6S)-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-LJAQVGFWSA-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)/t29-/m0/s1.
What are the key properties of (6S)-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?
(6S)-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 (6S)-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 92739088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).