3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile

C24H20N8 — CID 146320958

IUPAC3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESC=N/C=C\C(=N/C)c1c(-c2cccc(C#N)c2)nc(N)c2cc(Cc3ccccn3)nn12
InChIInChI=1S/C24H20N8/c1-27-11-9-20(28-2)23-22(17-7-5-6-16(12-17)15-25)30-24(26)21-14-19(31-32(21)23)13-18-8-3-4-10-29-18/h3-12,14H,1,13H2,2H3,(H2,26,30)/b11-9-,28-20+
InChIKeyHLOJZQKPBTVQTM-WLNJXYRBSA-N
MW420.48 g/mol
LogP3.47
Rot. Bonds6

About 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile

3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile (PubChem CID 146320958) has the molecular formula C24H20N8 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
PubChem CID146320958
Molecular FormulaC24H20N8
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESC=N/C=C\C(=N/C)c1c(-c2cccc(C#N)c2)nc(N)c2cc(Cc3ccccn3)nn12
InChIInChI=1S/C24H20N8/c1-27-11-9-20(28-2)23-22(17-7-5-6-16(12-17)15-25)30-24(26)21-14-19(31-32(21)23)13-18-8-3-4-10-29-18/h3-12,14H,1,13H2,2H3,(H2,26,30)/b11-9-,28-20+
InChIKeyHLOJZQKPBTVQTM-WLNJXYRBSA-N
XLogP3.47
TPSA117.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307207
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
CID 58004350
3-[5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508728
3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile
CID 164828706
3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
3-[5-amino-8-[4-(methoxymethyl)-2-methyl-1,3-oxazol-5-yl]-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508729
3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
CID 146307129
3-[8-amino-2-[(2-fluoro-6-formylphenyl)methyl]-5-(4-methyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307304
ethane;2-ethylpyridine;3-methylbenzonitrile
CID 145128447
3-[5-amino-8-bromo-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508800
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-(1,5-diaminoimidazol-4-yl)benzonitrile
CID 62481562

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile (CID 146320958) is 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile is C=N/C=C\C(=N/C)c1c(-c2cccc(C#N)c2)nc(N)c2cc(Cc3ccccn3)nn12.
What is the InChIKey of 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The InChIKey is HLOJZQKPBTVQTM-WLNJXYRBSA-N. The full InChI is InChI=1S/C24H20N8/c1-27-11-9-20(28-2)23-22(17-7-5-6-16(12-17)15-25)30-24(26)21-14-19(31-32(21)23)13-18-8-3-4-10-29-18/h3-12,14H,1,13H2,2H3,(H2,26,30)/b11-9-,28-20+.
What are the key properties of 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile has a molecular weight of 420.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-2-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 146320958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).