4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C14H11F2N3O — CID 135646605

IUPAC4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(C(F)F)c12
InChIInChI=1S/C14H11F2N3O/c1-8-12-10(13(15)16)7-11(20)17-14(12)19(18-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,17,20)
InChIKeyREZVQNWKCCUWQS-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.96
Rot. Bonds2

About 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135646605) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135646605
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)cc(C(F)F)c12
InChIInChI=1S/C14H11F2N3O/c1-8-12-10(13(15)16)7-11(20)17-14(12)19(18-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,17,20)
InChIKeyREZVQNWKCCUWQS-UHFFFAOYSA-N
XLogP2.96
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135646605) is 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is REZVQNWKCCUWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-8-12-10(13(15)16)7-11(20)17-14(12)19(18-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,17,20).
What are the key properties of 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 275.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135646605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).