9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile

C25H13N5 — CID 129054218

IUPAC9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc2cc3ccccc3cn2n1
InChIInChI=1S/C25H13N5/c26-13-16-5-7-23-21(9-16)22-10-17(14-27)6-8-24(22)30(23)25-12-20-11-18-3-1-2-4-19(18)15-29(20)28-25/h1-12,15H
InChIKeyFARHTWZTKWQOKL-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.33
Rot. Bonds1

About 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile

9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile (PubChem CID 129054218) has the molecular formula C25H13N5 and a molecular weight of 383.41 g/mol. Its IUPAC name is 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile
PubChem CID129054218
Molecular FormulaC25H13N5
Molecular Weight383.41 g/mol
Exact Mass383.12
IUPAC Name9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc2cc3ccccc3cn2n1
InChIInChI=1S/C25H13N5/c26-13-16-5-7-23-21(9-16)22-10-17(14-27)6-8-24(22)30(23)25-12-20-11-18-3-1-2-4-19(18)15-29(20)28-25/h1-12,15H
InChIKeyFARHTWZTKWQOKL-UHFFFAOYSA-N
XLogP5.33
TPSA69.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
CID 170443521
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312324
9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312383
9-[6-carbazol-9-yl-4-(2,4-dicyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 155179704
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
6-isocyano-9-(2-phenylpyrazolo[1,5-b]isoquinolin-3-yl)carbazole-3-carbonitrile;2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-b]isoquinoline
CID 158570613
9-(3-carbazol-9-ylphenyl)carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-[6-(3-methylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158181129
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735

Frequently Asked Questions

What is the IUPAC name of 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile?
The IUPAC name of 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile (CID 129054218) is 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc2cc3ccccc3cn2n1.
What is the InChIKey of 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile?
The InChIKey is FARHTWZTKWQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13N5/c26-13-16-5-7-23-21(9-16)22-10-17(14-27)6-8-24(22)30(23)25-12-20-11-18-3-1-2-4-19(18)15-29(20)28-25/h1-12,15H.
What are the key properties of 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile?
9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile has a molecular weight of 383.41 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrazolo[1,5-b]isoquinolin-2-ylcarbazole-3,6-dicarbonitrile is sourced from PubChem (CID 129054218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).