2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile

C25H16N4 — CID 13016006

IUPAC2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2cn(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C25H16N4/c26-16-22-23(18-10-4-1-5-11-18)25-21(24(27-22)19-12-6-2-7-13-19)17-29(28-25)20-14-8-3-9-15-20/h1-15,17H
InChIKeyHDJDPNQDNXULIN-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.63
Rot. Bonds3

About 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile

2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile (PubChem CID 13016006) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
PubChem CID13016006
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2cn(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C25H16N4/c26-16-22-23(18-10-4-1-5-11-18)25-21(24(27-22)19-12-6-2-7-13-19)17-29(28-25)20-14-8-3-9-15-20/h1-15,17H
InChIKeyHDJDPNQDNXULIN-UHFFFAOYSA-N
XLogP5.63
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
CID 13077761
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile
CID 148945322
3-[7-(4-cyano-1,5-diphenylpyrazol-3-yl)-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905811
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
4,7-dimethyl-2-phenylindazole
CID 175730275
1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
CID 13154154
1,3,4-triphenylpyrazole
CID 555882
4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 171985433
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
1-(3-chlorophenyl)-3-phenylpyrazole-4-carbonitrile
CID 97182239
2-(2,7-diphenylpyrazolo[3,4-d]pyridazin-4-yl)-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 102291064

Frequently Asked Questions

What is the IUPAC name of 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile?
The IUPAC name of 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile (CID 13016006) is 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile.
What is the SMILES notation for 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile?
The canonical SMILES for 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile is N#Cc1nc(-c2ccccc2)c2cn(-c3ccccc3)nc2c1-c1ccccc1.
What is the InChIKey of 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile?
The InChIKey is HDJDPNQDNXULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c26-16-22-23(18-10-4-1-5-11-18)25-21(24(27-22)19-12-6-2-7-13-19)17-29(28-25)20-14-8-3-9-15-20/h1-15,17H.
What are the key properties of 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile?
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile is sourced from PubChem (CID 13016006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).