5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile

C22H19FN6 — CID 167237337

IUPAC5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile
SMILESCc1cccc(F)c1-c1cc2c(-n3cc4c(n3)CN(C)CC4)n[nH]c2cc1C#N
InChIInChI=1S/C22H19FN6/c1-13-4-3-5-18(23)21(13)16-9-17-19(8-15(16)10-24)25-26-22(17)29-11-14-6-7-28(2)12-20(14)27-29/h3-5,8-9,11H,6-7,12H2,1-2H3,(H,25,26)
InChIKeyAQWHCWKHNRPURA-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.72
Rot. Bonds2

About 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile

5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile (PubChem CID 167237337) has the molecular formula C22H19FN6 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile
PubChem CID167237337
Molecular FormulaC22H19FN6
Molecular Weight386.43 g/mol
Exact Mass386.17
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile
SMILESCc1cccc(F)c1-c1cc2c(-n3cc4c(n3)CN(C)CC4)n[nH]c2cc1C#N
InChIInChI=1S/C22H19FN6/c1-13-4-3-5-18(23)21(13)16-9-17-19(8-15(16)10-24)25-26-22(17)29-11-14-6-7-28(2)12-20(14)27-29/h3-5,8-9,11H,6-7,12H2,1-2H3,(H,25,26)
InChIKeyAQWHCWKHNRPURA-UHFFFAOYSA-N
XLogP3.72
TPSA73.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-fluoro-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-2-yl]-1H-indazole-6-carbonitrile
CID 167237343
3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-1H-indazole-6-carbonitrile
CID 166518872
5-(6,8-difluoro-4-oxo-2,3-dihydro-1H-isoquinolin-7-yl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile
CID 167237312
5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile
CID 167237313
1-[4-[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-isocyano-1H-indazol-5-yl]-3-fluoro-5-methylphenyl]-N-methylmethanamine
CID 166518876
tert-butyl 2-[2-(2-cyano-6-fluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 174146412
5-(2-fluoro-6-methylphenyl)-3-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062385
5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide
CID 134327663
5-[2-fluoro-6-methyl-4-(methylaminomethyl)phenyl]-3-thieno[3,2-c]pyridin-2-yl-1H-indazole-6-carbonitrile
CID 167237574
5-(3-fluoro-2-pyridinyl)-3-(3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)-1H-indazole-6-carbonitrile
CID 166809799
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 82611382
3-[6-cyano-3-(3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl)-1H-indazol-5-yl]-2-fluorobenzamide
CID 166810179

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile (CID 167237337) is 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile is Cc1cccc(F)c1-c1cc2c(-n3cc4c(n3)CN(C)CC4)n[nH]c2cc1C#N.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile?
The InChIKey is AQWHCWKHNRPURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6/c1-13-4-3-5-18(23)21(13)16-9-17-19(8-15(16)10-24)25-26-22(17)29-11-14-6-7-28(2)12-20(14)27-29/h3-5,8-9,11H,6-7,12H2,1-2H3,(H,25,26).
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile?
5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile has a molecular weight of 386.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-(6-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-1H-indazole-6-carbonitrile is sourced from PubChem (CID 167237337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).