6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one

C22H23F2N3O — CID 160769458

IUPAC6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=C1CC(Cc2ccccc2C2CC2)=Nc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C22H23F2N3O/c23-22(24)9-7-17(8-10-22)27-21-19(13-25-27)20(28)12-16(26-21)11-15-3-1-2-4-18(15)14-5-6-14/h1-4,13-14,17H,5-12H2
InChIKeyRZCTVFCBLIJPIU-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.41
Rot. Bonds4

About 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one

6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 160769458) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID160769458
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=C1CC(Cc2ccccc2C2CC2)=Nc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C22H23F2N3O/c23-22(24)9-7-17(8-10-22)27-21-19(13-25-27)20(28)12-16(26-21)11-15-3-1-2-4-18(15)14-5-6-14/h1-4,13-14,17H,5-12H2
InChIKeyRZCTVFCBLIJPIU-UHFFFAOYSA-N
XLogP5.41
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one (CID 160769458) is 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one is O=C1CC(Cc2ccccc2C2CC2)=Nc2c1cnn2C1CCC(F)(F)CC1.
What is the InChIKey of 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is RZCTVFCBLIJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c23-22(24)9-7-17(8-10-22)27-21-19(13-25-27)20(28)12-16(26-21)11-15-3-1-2-4-18(15)14-5-6-14/h1-4,13-14,17H,5-12H2.
What are the key properties of 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one?
6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 383.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropylphenyl)methyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 160769458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).