6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

C27H19F2N5O2 — CID 52914256

IUPAC6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(F)ccc(F)c3c-2nn1-c1ccccc1CO
InChIInChI=1S/C27H19F2N5O2/c28-21-10-11-22(29)26-24(21)25-20(27(36)34(31-25)23-5-2-1-4-18(23)16-35)15-32(26)14-17-6-8-19(9-7-17)33-13-3-12-30-33/h1-13,15,35H,14,16H2
InChIKeyRFWRASRLUZUADY-UHFFFAOYSA-N
MW483.48 g/mol
LogP4.30
Rot. Bonds5

About 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one

6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (PubChem CID 52914256) has the molecular formula C27H19F2N5O2 and a molecular weight of 483.48 g/mol. Its IUPAC name is 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
PubChem CID52914256
Molecular FormulaC27H19F2N5O2
Molecular Weight483.48 g/mol
Exact Mass483.15
IUPAC Name6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(F)ccc(F)c3c-2nn1-c1ccccc1CO
InChIInChI=1S/C27H19F2N5O2/c28-21-10-11-22(29)26-24(21)25-20(27(36)34(31-25)23-5-2-1-4-18(23)16-35)15-32(26)14-17-6-8-19(9-7-17)33-13-3-12-30-33/h1-13,15,35H,14,16H2
InChIKeyRFWRASRLUZUADY-UHFFFAOYSA-N
XLogP4.30
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one (CID 52914256) is 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is O=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(F)ccc(F)c3c-2nn1-c1ccccc1CO.
What is the InChIKey of 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is RFWRASRLUZUADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N5O2/c28-21-10-11-22(29)26-24(21)25-20(27(36)34(31-25)23-5-2-1-4-18(23)16-35)15-32(26)14-17-6-8-19(9-7-17)33-13-3-12-30-33/h1-13,15,35H,14,16H2.
What are the key properties of 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one?
6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 483.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 52914256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).