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

C24H14ClFN6 — CID 171527016

IUPAC4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cncc4[nH]ncc34)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C24H14ClFN6/c25-19-7-23-14(6-20(19)26)3-4-32(23)24-15(8-27)9-29-21-2-1-13(5-16(21)24)17-10-28-12-22-18(17)11-30-31-22/h1-2,5-7,9-12H,3-4H2,(H,30,31)
InChIKeyZYDOKXLMNJGRLP-UHFFFAOYSA-N
MW440.87 g/mol
LogP5.53
Rot. Bonds2

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

4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile (PubChem CID 171527016) 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[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile
PubChem CID171527016
Molecular FormulaC24H14ClFN6
Molecular Weight440.87 g/mol
Exact Mass440.10
IUPAC Name4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cncc4[nH]ncc34)cc2c1N1CCc2cc(F)c(Cl)cc21
InChIInChI=1S/C24H14ClFN6/c25-19-7-23-14(6-20(19)26)3-4-32(23)24-15(8-27)9-29-21-2-1-13(5-16(21)24)17-10-28-12-22-18(17)11-30-31-22/h1-2,5-7,9-12H,3-4H2,(H,30,31)
InChIKeyZYDOKXLMNJGRLP-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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile (CID 171527016) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3cncc4[nH]ncc34)cc2c1N1CCc2cc(F)c(Cl)cc21.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile?
The InChIKey is ZYDOKXLMNJGRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN6/c25-19-7-23-14(6-20(19)26)3-4-32(23)24-15(8-27)9-29-21-2-1-13(5-16(21)24)17-10-28-12-22-18(17)11-30-31-22/h1-2,5-7,9-12H,3-4H2,(H,30,31).
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1H-pyrazolo[5,4-c]pyridin-4-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[5,4-c]pyridin-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 171527016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).