N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C22H27N5O3 — CID 50758686

IUPACN-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCCCC3)nn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C22H27N5O3/c1-22(21(30)23-14-16-9-5-3-6-10-16)15-27-18(20(29)25(22)2)13-17(24-27)19(28)26-11-7-4-8-12-26/h3,5-6,9-10,13H,4,7-8,11-12,14-15H2,1-2H3,(H,23,30)
InChIKeyMAYAQMAPRRBTCP-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.67
Rot. Bonds4

About N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50758686) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50758686
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCCCC3)nn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C22H27N5O3/c1-22(21(30)23-14-16-9-5-3-6-10-16)15-27-18(20(29)25(22)2)13-17(24-27)19(28)26-11-7-4-8-12-26/h3,5-6,9-10,13H,4,7-8,11-12,14-15H2,1-2H3,(H,23,30)
InChIKeyMAYAQMAPRRBTCP-UHFFFAOYSA-N
XLogP1.67
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92744039
N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758656
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)-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-[(4-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758684
(6S)-5,6-dimethyl-N-(3-methylbutyl)-4-oxo-2-(pyrrolidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743722
6-N-benzyl-2-N-[(2-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278885
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
(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
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743137
(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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50758686) is N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCCCC3)nn2CC1(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is MAYAQMAPRRBTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-22(21(30)23-14-16-9-5-3-6-10-16)15-27-18(20(29)25(22)2)13-17(24-27)19(28)26-11-7-4-8-12-26/h3,5-6,9-10,13H,4,7-8,11-12,14-15H2,1-2H3,(H,23,30).
What are the key properties of N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50758686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).