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

C24H17N7 — CID 146307129

IUPAC3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C24H17N7/c25-15-16-5-4-6-18(13-16)22-23(17-9-11-27-12-10-17)31-20(24(26)29-22)14-21(30-31)28-19-7-2-1-3-8-19/h1-14H,(H2,26,29)(H,28,30)
InChIKeyJHMULIBFFDZWLO-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.66
Rot. Bonds4

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

3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile (PubChem CID 146307129) has the molecular formula C24H17N7 and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
PubChem CID146307129
Molecular FormulaC24H17N7
Molecular Weight403.45 g/mol
Exact Mass403.15
IUPAC Name3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C24H17N7/c25-15-16-5-4-6-18(13-16)22-23(17-9-11-27-12-10-17)31-20(24(26)29-22)14-21(30-31)28-19-7-2-1-3-8-19/h1-14H,(H2,26,29)(H,28,30)
InChIKeyJHMULIBFFDZWLO-UHFFFAOYSA-N
XLogP4.66
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
2-anilinopyridine-4-carbonitrile
CID 24696970
3-[[6-(3-cyanoanilino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881724
N-phenyl-3-pyridin-4-ylaniline
CID 118505949
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
3-[(6-anilinopyrimidin-4-yl)amino]benzonitrile
CID 112864808
3-(1,5-diaminoimidazol-4-yl)benzonitrile
CID 62481562
3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile
CID 155513139
3-[8-amino-2-[(2-fluorophenyl)-hydroxymethyl]-5-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]benzonitrile
CID 146307029
4-[[5-(3-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59276580
3-[[2-(N-methylanilino)-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938145
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
The IUPAC name of 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile (CID 146307129) is 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile.
What is the SMILES notation for 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
The canonical SMILES for 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile is N#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4)nn3c2-c2ccncc2)c1.
What is the InChIKey of 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
The InChIKey is JHMULIBFFDZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7/c25-15-16-5-4-6-18(13-16)22-23(17-9-11-27-12-10-17)31-20(24(26)29-22)14-21(30-31)28-19-7-2-1-3-8-19/h1-14H,(H2,26,29)(H,28,30).
What are the key properties of 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile has a molecular weight of 403.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-anilino-7-pyridin-4-ylpyrazolo[1,5-a]pyrazin-6-yl)benzonitrile is sourced from PubChem (CID 146307129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).