5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C24H32N6O4 — CID 46279011

IUPAC5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)Cn3nc(C(=O)NCCN4CCOCC4)cc3C(=O)N2C)cc1
InChIInChI=1S/C24H32N6O4/c1-17-4-6-18(7-5-17)15-26-23(33)24(2)16-30-20(22(32)28(24)3)14-19(27-30)21(31)25-8-9-29-10-12-34-13-11-29/h4-7,14H,8-13,15-16H2,1-3H3,(H,25,31)(H,26,33)
InChIKeyMLGLNHDNEOJLTD-UHFFFAOYSA-N
MW468.56 g/mol
LogP0.41
Rot. Bonds7

About 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46279011) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46279011
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)Cn3nc(C(=O)NCCN4CCOCC4)cc3C(=O)N2C)cc1
InChIInChI=1S/C24H32N6O4/c1-17-4-6-18(7-5-17)15-26-23(33)24(2)16-30-20(22(32)28(24)3)14-19(27-30)21(31)25-8-9-29-10-12-34-13-11-29/h4-7,14H,8-13,15-16H2,1-3H3,(H,25,31)(H,26,33)
InChIKeyMLGLNHDNEOJLTD-UHFFFAOYSA-N
XLogP0.41
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(6R)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743830
6-N-benzyl-2-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278912
N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758656
(6S)-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-(3-pyrrolidin-1-ylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743991
(6R)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(3-propylsulfanylpropyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744134
2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279022
(6S)-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744141
5,6-dimethyl-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758679
(6R)-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744174
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758762
(6S)-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744066
(6R)-6-N-benzyl-5,6-dimethyl-2-N-[2-(2-methylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743896

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46279011) is 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is Cc1ccc(CNC(=O)C2(C)Cn3nc(C(=O)NCCN4CCOCC4)cc3C(=O)N2C)cc1.
What is the InChIKey of 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is MLGLNHDNEOJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-17-4-6-18(7-5-17)15-26-23(33)24(2)16-30-20(22(32)28(24)3)14-19(27-30)21(31)25-8-9-29-10-12-34-13-11-29/h4-7,14H,8-13,15-16H2,1-3H3,(H,25,31)(H,26,33).
What are the key properties of 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 468.56 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).