2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide

C30H31N7O2 — CID 23552220

IUPAC2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide
SMILESCc1[nH]nc2ccc(CNC(=O)Cn3c(C)cnc(NN(Cc4ccccc4)Cc4ccccc4)c3=O)cc12
InChIInChI=1S/C30H31N7O2/c1-21-16-32-29(35-36(18-23-9-5-3-6-10-23)19-24-11-7-4-8-12-24)30(39)37(21)20-28(38)31-17-25-13-14-27-26(15-25)22(2)33-34-27/h3-16H,17-20H2,1-2H3,(H,31,38)(H,32,35)(H,33,34)
InChIKeyCYGRMWBOMQETIB-UHFFFAOYSA-N
MW521.63 g/mol
LogP4.08
Rot. Bonds10

About 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide

2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide (PubChem CID 23552220) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide
PubChem CID23552220
Molecular FormulaC30H31N7O2
Molecular Weight521.63 g/mol
Exact Mass521.25
IUPAC Name2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide
SMILESCc1[nH]nc2ccc(CNC(=O)Cn3c(C)cnc(NN(Cc4ccccc4)Cc4ccccc4)c3=O)cc12
InChIInChI=1S/C30H31N7O2/c1-21-16-32-29(35-36(18-23-9-5-3-6-10-23)19-24-11-7-4-8-12-24)30(39)37(21)20-28(38)31-17-25-13-14-27-26(15-25)22(2)33-34-27/h3-16H,17-20H2,1-2H3,(H,31,38)(H,32,35)(H,33,34)
InChIKeyCYGRMWBOMQETIB-UHFFFAOYSA-N
XLogP4.08
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]acetamide
CID 23552224
2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 67603385
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
2-[3-[2-[3-(2-aminoethoxy)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 59900530
2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-4-methyl-2-pyridinyl)methyl]acetamide
CID 11048541
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670
N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide
CID 162348948
N-[[2-[2-(3,4-dimethylidenepyrrolidin-1-yl)-2-oxoethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 86291054
N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
CID 82099380
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide (CID 23552220) is 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide is Cc1[nH]nc2ccc(CNC(=O)Cn3c(C)cnc(NN(Cc4ccccc4)Cc4ccccc4)c3=O)cc12.
What is the InChIKey of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide?
The InChIKey is CYGRMWBOMQETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c1-21-16-32-29(35-36(18-23-9-5-3-6-10-23)19-24-11-7-4-8-12-24)30(39)37(21)20-28(38)31-17-25-13-14-27-26(15-25)22(2)33-34-27/h3-16H,17-20H2,1-2H3,(H,31,38)(H,32,35)(H,33,34).
What are the key properties of 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide?
2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide has a molecular weight of 521.63 g/mol, XLogP of 4.08, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dibenzylhydrazinyl)-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-2H-indazol-5-yl)methyl]acetamide is sourced from PubChem (CID 23552220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).