4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one

C22H19N7O — CID 159117214

IUPAC4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCC(=O)c3ccncc3)nc12
InChIInChI=1S/C22H19N7O/c23-22-21-17(16-4-3-15(12-19(16)26-22)18-7-10-25-27-18)13-29(28-21)11-1-2-20(30)14-5-8-24-9-6-14/h3-10,12-13H,1-2,11H2,(H2,23,26)(H,25,27)
InChIKeyKFFVSLVYNAOMSG-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.61
Rot. Bonds6

About 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one

4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one (PubChem CID 159117214) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
PubChem CID159117214
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCC(=O)c3ccncc3)nc12
InChIInChI=1S/C22H19N7O/c23-22-21-17(16-4-3-15(12-19(16)26-22)18-7-10-25-27-18)13-29(28-21)11-1-2-20(30)14-5-8-24-9-6-14/h3-10,12-13H,1-2,11H2,(H2,23,26)(H,25,27)
InChIKeyKFFVSLVYNAOMSG-UHFFFAOYSA-N
XLogP3.61
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one?
The IUPAC name of 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one (CID 159117214) is 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one?
The canonical SMILES for 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one is Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCCC(=O)c3ccncc3)nc12.
What is the InChIKey of 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one?
The InChIKey is KFFVSLVYNAOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c23-22-21-17(16-4-3-15(12-19(16)26-22)18-7-10-25-27-18)13-29(28-21)11-1-2-20(30)14-5-8-24-9-6-14/h3-10,12-13H,1-2,11H2,(H2,23,26)(H,25,27).
What are the key properties of 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one?
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one has a molecular weight of 397.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 159117214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).