(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

C24H26N6O3 — CID 92744066

IUPAC(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
SMILESCc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCc4ccccn4)cc3C(=O)N2C)cc1
InChIInChI=1S/C24H26N6O3/c1-16-7-9-17(10-8-16)13-27-23(33)24(2)15-30-20(22(32)29(24)3)12-19(28-30)21(31)26-14-18-6-4-5-11-25-18/h4-12H,13-15H2,1-3H3,(H,26,31)(H,27,33)/t24-/m0/s1
InChIKeyNBGLVJZCXTVIMP-DEOSSOPVSA-N
MW446.51 g/mol
LogP1.68
Rot. Bonds6

About (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

(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 (PubChem CID 92744066) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92744066
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name(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
SMILESCc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCc4ccccn4)cc3C(=O)N2C)cc1
InChIInChI=1S/C24H26N6O3/c1-16-7-9-17(10-8-16)13-27-23(33)24(2)15-30-20(22(32)29(24)3)12-19(28-30)21(31)26-14-18-6-4-5-11-25-18/h4-12H,13-15H2,1-3H3,(H,26,31)(H,27,33)/t24-/m0/s1
InChIKeyNBGLVJZCXTVIMP-DEOSSOPVSA-N
XLogP1.68
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743751
(6S)-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744127
6-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758684
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743137
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6R)-6-N-benzyl-2-N-[(4-butoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743878
6-N-benzyl-2-N-[(2-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278885
(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
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
6-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-2-N-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758764
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCc4ccccn4)cc3C(=O)N2C)cc1.
What is the InChIKey of (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?
The InChIKey is NBGLVJZCXTVIMP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-7-9-17(10-8-16)13-27-23(33)24(2)15-30-20(22(32)29(24)3)12-19(28-30)21(31)26-14-18-6-4-5-11-25-18/h4-12H,13-15H2,1-3H3,(H,26,31)(H,27,33)/t24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 446.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92744066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).