4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile

C26H20N8 — CID 162477006

IUPAC4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
SMILESCCc1nn(-c2ccc3cn[nH]c3c2)c2cc(-c3ccnn3Cc3ccc(C#N)cc3)cnc12
InChIInChI=1S/C26H20N8/c1-2-22-26-25(34(32-22)21-8-7-19-15-29-31-23(19)12-21)11-20(14-28-26)24-9-10-30-33(24)16-18-5-3-17(13-27)4-6-18/h3-12,14-15H,2,16H2,1H3,(H,29,31)
InChIKeyBUCPUBMHLBFVII-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.64
Rot. Bonds5

About 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile

4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile (PubChem CID 162477006) has the molecular formula C26H20N8 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
PubChem CID162477006
Molecular FormulaC26H20N8
Molecular Weight444.50 g/mol
Exact Mass444.18
IUPAC Name4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
SMILESCCc1nn(-c2ccc3cn[nH]c3c2)c2cc(-c3ccnn3Cc3ccc(C#N)cc3)cnc12
InChIInChI=1S/C26H20N8/c1-2-22-26-25(34(32-22)21-8-7-19-15-29-31-23(19)12-21)11-20(14-28-26)24-9-10-30-33(24)16-18-5-3-17(13-27)4-6-18/h3-12,14-15H,2,16H2,1H3,(H,29,31)
InChIKeyBUCPUBMHLBFVII-UHFFFAOYSA-N
XLogP4.64
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-[3-amino-1-(1H-indazol-6-yl)-4-oxidopyrazolo[4,3-b]pyridin-4-ium-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477126
4-chloro-6-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 162477067
4-[[5-[4-amino-3-[amino(1H-indazol-6-yl)amino]-5-chlorophenyl]pyrazol-1-yl]methyl]benzonitrile
CID 146433230
4-[[5-[3-amino-4-fluoro-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)indazol-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162476930
4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 146433474
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
CID 146433539
4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
CID 162477073
2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 162476987
5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine
CID 146433323
6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
CID 162477143
4-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)benzonitrile
CID 66021994
4-[(6-aminoindazol-1-yl)methyl]benzonitrile
CID 22693472

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile (CID 162477006) is 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile is CCc1nn(-c2ccc3cn[nH]c3c2)c2cc(-c3ccnn3Cc3ccc(C#N)cc3)cnc12.
What is the InChIKey of 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile?
The InChIKey is BUCPUBMHLBFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8/c1-2-22-26-25(34(32-22)21-8-7-19-15-29-31-23(19)12-21)11-20(14-28-26)24-9-10-30-33(24)16-18-5-3-17(13-27)4-6-18/h3-12,14-15H,2,16H2,1H3,(H,29,31).
What are the key properties of 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile?
4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile has a molecular weight of 444.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 162477006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).