7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile

C24H14ClN7O — CID 172525252

IUPAC7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESN#Cc1cc2c3cn(Cc4cccnc4)nc3c(=O)n(-c3cccc4[nH]ncc34)c2cc1Cl
InChIInChI=1S/C24H14ClN7O/c25-19-8-22-16(7-15(19)9-26)18-13-31(12-14-3-2-6-27-10-14)30-23(18)24(33)32(22)21-5-1-4-20-17(21)11-28-29-20/h1-8,10-11,13H,12H2,(H,28,29)
InChIKeyMAHFQAVWPUWDEQ-UHFFFAOYSA-N
MW451.88 g/mol
LogP4.19
Rot. Bonds3

About 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile

7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile (PubChem CID 172525252) has the molecular formula C24H14ClN7O and a molecular weight of 451.88 g/mol. Its IUPAC name is 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
PubChem CID172525252
Molecular FormulaC24H14ClN7O
Molecular Weight451.88 g/mol
Exact Mass451.09
IUPAC Name7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESN#Cc1cc2c3cn(Cc4cccnc4)nc3c(=O)n(-c3cccc4[nH]ncc34)c2cc1Cl
InChIInChI=1S/C24H14ClN7O/c25-19-8-22-16(7-15(19)9-26)18-13-31(12-14-3-2-6-27-10-14)30-23(18)24(33)32(22)21-5-1-4-20-17(21)11-28-29-20/h1-8,10-11,13H,12H2,(H,28,29)
InChIKeyMAHFQAVWPUWDEQ-UHFFFAOYSA-N
XLogP4.19
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525485
7-chloro-2-(difluoromethyl)-5-(1H-indazol-4-yl)-1-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525481
7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525205
2-benzyl-5-(1H-indazol-4-yl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525479
7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525129
7-chloro-2-ethyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525162
8-fluoro-5-(1H-indazol-4-yl)-2-(trideuteriomethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525159
4-benzyl-7-methyl-3,4,7,10,11-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,11-tetraen-9-one
CID 154681825
5-(2-chlorophenyl)-6-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-4-one
CID 141377745
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 38506453
6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
CID 83805249
4-(3-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71558146

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile?
The IUPAC name of 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile (CID 172525252) is 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile is N#Cc1cc2c3cn(Cc4cccnc4)nc3c(=O)n(-c3cccc4[nH]ncc34)c2cc1Cl.
What is the InChIKey of 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile?
The InChIKey is MAHFQAVWPUWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClN7O/c25-19-8-22-16(7-15(19)9-26)18-13-31(12-14-3-2-6-27-10-14)30-23(18)24(33)32(22)21-5-1-4-20-17(21)11-28-29-20/h1-8,10-11,13H,12H2,(H,28,29).
What are the key properties of 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile?
7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile has a molecular weight of 451.88 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(1H-indazol-4-yl)-4-oxo-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinoline-8-carbonitrile is sourced from PubChem (CID 172525252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).