4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile

C24H14ClFN6 — CID 171341577

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cnc4[nH]ncc4c3)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C24H14ClFN6/c25-19-8-22-14(7-20(19)26)3-4-32(22)23-17(9-27)11-28-21-2-1-13(6-18(21)23)15-5-16-12-30-31-24(16)29-10-15/h1-2,5-8,10-12H,3-4H2,(H,29,30,31)
InChIKeyCNZPVEXNBGTJOI-UHFFFAOYSA-N
MW440.87 g/mol
LogP5.53
Rot. Bonds2

About 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile (PubChem CID 171341577) has the molecular formula C24H14ClFN6 and a molecular weight of 440.87 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile
PubChem CID171341577
Molecular FormulaC24H14ClFN6
Molecular Weight440.87 g/mol
Exact Mass440.10
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cnc4[nH]ncc4c3)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C24H14ClFN6/c25-19-8-22-14(7-20(19)26)3-4-32(22)23-17(9-27)11-28-21-2-1-13(6-18(21)23)15-5-16-12-30-31-24(16)29-10-15/h1-2,5-8,10-12H,3-4H2,(H,29,30,31)
InChIKeyCNZPVEXNBGTJOI-UHFFFAOYSA-N
XLogP5.53
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.87
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-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

6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
6-chloro-5-phenyl-N-pyridin-2-yl-1H-indazol-3-amine
CID 10426186
3-(2-chloroquinolin-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905216
N-(3-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222957
7-Chloro-4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223299
N-(5-chloro-2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390346
N-(2-chlorophenyl)-N-methyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400790
N-(2-chloro-4-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400791
N-(3-chloro-4-fluorophenyl)-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-4-amine
CID 127045270
4-[6-(2-chloro-4-pyridinyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]-5,8-difluoroquinoline
CID 134372827
3-chloro-4-[3-(5,8-difluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]pyridin-2-amine
CID 134372862
8-chloro-4-[6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
CID 134372906

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile (CID 171341577) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3cnc4[nH]ncc4c3)cc2c1N1CCc2cc(F)c(Cl)cc21.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile?
The InChIKey is CNZPVEXNBGTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN6/c25-19-8-22-14(7-20(19)26)3-4-32(22)23-17(9-27)11-28-21-2-1-13(6-18(21)23)15-5-16-12-30-31-24(16)29-10-15/h1-2,5-8,10-12H,3-4H2,(H,29,30,31).
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile has a molecular weight of 440.87 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 171341577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).