4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile

C25H15ClFN7 — CID 171527290

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3ccc(-c4cn[nH]n4)nc3)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C25H15ClFN7/c26-19-9-24-15(8-20(19)27)5-6-34(24)25-17(10-28)12-29-21-3-1-14(7-18(21)25)16-2-4-22(30-11-16)23-13-31-33-32-23/h1-4,7-9,11-13H,5-6H2,(H,31,32,33)
InChIKeySJXDFUBCZOKFBK-UHFFFAOYSA-N
MW467.90 g/mol
LogP5.44
Rot. Bonds3

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

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile (PubChem CID 171527290) has the molecular formula C25H15ClFN7 and a molecular weight of 467.90 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile
PubChem CID171527290
Molecular FormulaC25H15ClFN7
Molecular Weight467.90 g/mol
Exact Mass467.11
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3ccc(-c4cn[nH]n4)nc3)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C25H15ClFN7/c26-19-9-24-15(8-20(19)27)5-6-34(24)25-17(10-28)12-29-21-3-1-14(7-18(21)25)16-2-4-22(30-11-16)23-13-31-33-32-23/h1-4,7-9,11-13H,5-6H2,(H,31,32,33)
InChIKeySJXDFUBCZOKFBK-UHFFFAOYSA-N
XLogP5.44
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.90
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile with MolForge

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Related Compounds

1-[(1S)-1-(4-Chlorophenyl)ethyl]-8-(2-methylpyridin-4-yl)-1H-[1,2,3]triazolo[4,5-c]quinoline
CID 137637167
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137637724
1-[(1R)-1-(4-fluorophenyl)ethyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137641621
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-pyridin-4-yltriazolo[4,5-c]quinoline
CID 137645266
6-chloro-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137654255
1-[(4-Fluorophenyl)methyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137655950
1-[[6-(4-Chloro-2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole-4-carbonitrile
CID 155531978
US11168082, Cpd. No. 90
CID 142474856
US11168082, Cpd. No. 50
CID 142474890
US11168082, Cpd. No. 69
CID 142474934
US11168082, Cpd. No. 61
CID 142474938
US11168082, Cpd. No. 60
CID 146564899

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile (CID 171527290) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3ccc(-c4cn[nH]n4)nc3)cc2c1N1CCc2cc(F)c(Cl)cc21.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile?
The InChIKey is SJXDFUBCZOKFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClFN7/c26-19-9-24-15(8-20(19)27)5-6-34(24)25-17(10-28)12-29-21-3-1-14(7-18(21)25)16-2-4-22(30-11-16)23-13-31-33-32-23/h1-4,7-9,11-13H,5-6H2,(H,31,32,33).
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile has a molecular weight of 467.90 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-[6-(2H-triazol-4-yl)-3-pyridinyl]quinoline-3-carbonitrile is sourced from PubChem (CID 171527290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).