7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile

C23H15ClN8O — CID 172525485

IUPAC7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCn1cc(Cn2cc3c(n2)c(=O)n(-c2cccc4[nH]ncc24)c2cc(Cl)c(C#N)cc32)cn1
InChIInChI=1S/C23H15ClN8O/c1-30-10-13(8-27-30)11-31-12-17-15-5-14(7-25)18(24)6-21(15)32(23(33)22(17)29-31)20-4-2-3-19-16(20)9-26-28-19/h2-6,8-10,12H,11H2,1H3,(H,26,28)
InChIKeyOWDZGHMZZISXDK-UHFFFAOYSA-N
MW454.88 g/mol
LogP3.52
Rot. Bonds3

About 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile

7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile (PubChem CID 172525485) has the molecular formula C23H15ClN8O and a molecular weight of 454.88 g/mol. Its IUPAC name is 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
PubChem CID172525485
Molecular FormulaC23H15ClN8O
Molecular Weight454.88 g/mol
Exact Mass454.11
IUPAC Name7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
SMILESCn1cc(Cn2cc3c(n2)c(=O)n(-c2cccc4[nH]ncc24)c2cc(Cl)c(C#N)cc32)cn1
InChIInChI=1S/C23H15ClN8O/c1-30-10-13(8-27-30)11-31-12-17-15-5-14(7-25)18(24)6-21(15)32(23(33)22(17)29-31)20-4-2-3-19-16(20)9-26-28-19/h2-6,8-10,12H,11H2,1H3,(H,26,28)
InChIKeyOWDZGHMZZISXDK-UHFFFAOYSA-N
XLogP3.52
TPSA110.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The IUPAC name of 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile (CID 172525485) is 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile.
What is the SMILES notation for 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The canonical SMILES for 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile is Cn1cc(Cn2cc3c(n2)c(=O)n(-c2cccc4[nH]ncc24)c2cc(Cl)c(C#N)cc32)cn1.
What is the InChIKey of 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
The InChIKey is OWDZGHMZZISXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN8O/c1-30-10-13(8-27-30)11-31-12-17-15-5-14(7-25)18(24)6-21(15)32(23(33)22(17)29-31)20-4-2-3-19-16(20)9-26-28-19/h2-6,8-10,12H,11H2,1H3,(H,26,28).
What are the key properties of 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile?
7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile has a molecular weight of 454.88 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(1H-indazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile is sourced from PubChem (CID 172525485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).