2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

C25H24N6O — CID 67111534

IUPAC2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1C1CCNCC1
InChIInChI=1S/C25H24N6O/c32-25-22-17-29(16-18-6-8-19(9-7-18)30-15-3-12-27-30)23-5-2-1-4-21(23)24(22)28-31(25)20-10-13-26-14-11-20/h1-9,12,15,17,20,26H,10-11,13-14,16H2
InChIKeyKWAMKALEEQWOOF-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.46
Rot. Bonds4

About 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (PubChem CID 67111534) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
PubChem CID67111534
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1C1CCNCC1
InChIInChI=1S/C25H24N6O/c32-25-22-17-29(16-18-6-8-19(9-7-18)30-15-3-12-27-30)23-5-2-1-4-21(23)24(22)28-31(25)20-10-13-26-14-11-20/h1-9,12,15,17,20,26H,10-11,13-14,16H2
InChIKeyKWAMKALEEQWOOF-UHFFFAOYSA-N
XLogP3.46
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (CID 67111534) is 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is O=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is KWAMKALEEQWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-25-22-17-29(16-18-6-8-19(9-7-18)30-15-3-12-27-30)23-5-2-1-4-21(23)24(22)28-31(25)20-10-13-26-14-11-20/h1-9,12,15,17,20,26H,10-11,13-14,16H2.
What are the key properties of 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 424.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 67111534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).