3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile

C23H16N8 — CID 146307207

IUPAC3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Cc4ccccn4)nn3c2-c2ccncn2)c1
InChIInChI=1S/C23H16N8/c24-13-15-4-3-5-16(10-15)21-22(19-7-9-26-14-28-19)31-20(23(25)29-21)12-18(30-31)11-17-6-1-2-8-27-17/h1-10,12,14H,11H2,(H2,25,29)
InChIKeyBTMGZLJLARGJHL-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.29
Rot. Bonds4

About 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile

3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile (PubChem CID 146307207) has the molecular formula C23H16N8 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
PubChem CID146307207
Molecular FormulaC23H16N8
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Cc4ccccn4)nn3c2-c2ccncn2)c1
InChIInChI=1S/C23H16N8/c24-13-15-4-3-5-16(10-15)21-22(19-7-9-26-14-28-19)31-20(23(25)29-21)12-18(30-31)11-17-6-1-2-8-27-17/h1-10,12,14H,11H2,(H2,25,29)
InChIKeyBTMGZLJLARGJHL-UHFFFAOYSA-N
XLogP3.29
TPSA118.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
CID 58004350
3-[8-amino-2-[(2-fluorophenyl)-hydroxymethyl]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307029
3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
CID 146307129
3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
3-[4,6-diamino-5-(pyridin-2-ylmethyldiazenyl)-2-pyridinyl]benzonitrile
CID 164828706
3-(4-amino-5,6-diimino-3-pyrimidin-4-yl-2-pyridinyl)benzonitrile
CID 154666366
3-[2-[(6-ethyl-2-pyridinyl)amino]-5-pyrimidin-4-yl-1,3-thiazol-4-yl]benzonitrile
CID 11176584
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-[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-[8-[bis[(4-methoxyphenyl)methyl]amino]-2-[(3-methyl-2-pyridinyl)methoxy]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307303
3-[2-(hydroxymethyl)-5-imino-8-pyrimidin-4-yl-2,3-dihydro-1H-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 167150969

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile (CID 146307207) is 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile is N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccn4)nn3c2-c2ccncn2)c1.
What is the InChIKey of 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
The InChIKey is BTMGZLJLARGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8/c24-13-15-4-3-5-16(10-15)21-22(19-7-9-26-14-28-19)31-20(23(25)29-21)12-18(30-31)11-17-6-1-2-8-27-17/h1-10,12,14H,11H2,(H2,25,29).
What are the key properties of 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile?
3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile has a molecular weight of 404.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(pyridin-2-ylmethyl)-7-pyrimidin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 146307207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).