(6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C22H25N7O3 — CID 92744559

IUPAC(6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCc3cnc[nH]3)nn2C[C@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C22H25N7O3/c1-22(21(32)25-11-15-6-4-3-5-7-15)13-29-18(20(31)28(22)2)10-17(27-29)19(30)24-9-8-16-12-23-14-26-16/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,23,26)(H,24,30)(H,25,32)/t22-/m1/s1
InChIKeyMPZNPHHTTANITK-JOCHJYFZSA-N
MW435.49 g/mol
LogP0.74
Rot. Bonds7

About (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92744559) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92744559
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name(6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCN1C(=O)c2cc(C(=O)NCCc3cnc[nH]3)nn2C[C@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C22H25N7O3/c1-22(21(32)25-11-15-6-4-3-5-7-15)13-29-18(20(31)28(22)2)10-17(27-29)19(30)24-9-8-16-12-23-14-26-16/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,23,26)(H,24,30)(H,25,32)/t22-/m1/s1
InChIKeyMPZNPHHTTANITK-JOCHJYFZSA-N
XLogP0.74
TPSA125.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-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-2-N-[2-(2-methylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743896
(6S)-6-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743768
(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
(6S)-6-N-benzyl-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743848
6-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278935
(6R)-6-N-benzyl-2-N-(3-ethoxypropyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743809
6-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758684
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)-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
(6S)-2-N-[(3-fluorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744024

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92744559) is (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCCc3cnc[nH]3)nn2C[C@]1(C)C(=O)NCc1ccccc1.
What is the InChIKey of (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is MPZNPHHTTANITK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-22(21(32)25-11-15-6-4-3-5-7-15)13-29-18(20(31)28(22)2)10-17(27-29)19(30)24-9-8-16-12-23-14-26-16/h3-7,10,12,14H,8-9,11,13H2,1-2H3,(H,23,26)(H,24,30)(H,25,32)/t22-/m1/s1.
What are the key properties of (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 435.49 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-N-benzyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92744559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).