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

C21H25N5O4 — CID 50758656

IUPACN-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCOCC3)nn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C21H25N5O4/c1-21(20(29)22-13-15-6-4-3-5-7-15)14-26-17(19(28)24(21)2)12-16(23-26)18(27)25-8-10-30-11-9-25/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,29)
InChIKeyYNUYQGCYEFPXMJ-UHFFFAOYSA-N
MW411.46 g/mol
LogP0.52
Rot. Bonds4

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

N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50758656) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50758656
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCN1C(=O)c2cc(C(=O)N3CCOCC3)nn2CC1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C21H25N5O4/c1-21(20(29)22-13-15-6-4-3-5-7-15)14-26-17(19(28)24(21)2)12-16(23-26)18(27)25-8-10-30-11-9-25/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,29)
InChIKeyYNUYQGCYEFPXMJ-UHFFFAOYSA-N
XLogP0.52
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50758686
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)-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-(piperidine-1-carbonyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92744039
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-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743779
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
(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
(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
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)-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
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50758656) is N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CN1C(=O)c2cc(C(=O)N3CCOCC3)nn2CC1(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is YNUYQGCYEFPXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-21(20(29)22-13-15-6-4-3-5-7-15)14-26-17(19(28)24(21)2)12-16(23-26)18(27)25-8-10-30-11-9-25/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,29).
What are the key properties of N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6-dimethyl-2-(morpholine-4-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50758656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).