4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile

C16H13N7 — CID 141279339

IUPAC4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile
SMILESCn1nccc1CNc1nc2cc(C#N)ccc2n2ccnc12
InChIInChI=1S/C16H13N7/c1-22-12(4-5-20-22)10-19-15-16-18-6-7-23(16)14-3-2-11(9-17)8-13(14)21-15/h2-8H,10H2,1H3,(H,19,21)
InChIKeyDYIJKWKRGJEYJT-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.10
Rot. Bonds3

About 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile

4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile (PubChem CID 141279339) has the molecular formula C16H13N7 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile
PubChem CID141279339
Molecular FormulaC16H13N7
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile
SMILESCn1nccc1CNc1nc2cc(C#N)ccc2n2ccnc12
InChIInChI=1S/C16H13N7/c1-22-12(4-5-20-22)10-19-15-16-18-6-7-23(16)14-3-2-11(9-17)8-13(14)21-15/h2-8H,10H2,1H3,(H,19,21)
InChIKeyDYIJKWKRGJEYJT-UHFFFAOYSA-N
XLogP2.10
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43722901
6-N-methyl-8-N-[(2-methylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829727
2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43433440
2-chloro-4-cyano-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 103989029
5-chloro-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794349
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 107663250
2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107276357
N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine
CID 5107541
5-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 86794365
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 63302427
4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile
CID 143460863

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile (CID 141279339) is 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile is Cn1nccc1CNc1nc2cc(C#N)ccc2n2ccnc12.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile?
The InChIKey is DYIJKWKRGJEYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7/c1-22-12(4-5-20-22)10-19-15-16-18-6-7-23(16)14-3-2-11(9-17)8-13(14)21-15/h2-8H,10H2,1H3,(H,19,21).
What are the key properties of 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile?
4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile has a molecular weight of 303.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]quinoxaline-7-carbonitrile is sourced from PubChem (CID 141279339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).