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

C11H11F2N3O — CID 135645638

IUPAC3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C2CC2)c2c(C(F)F)cc(=O)[nH]c21
InChIInChI=1S/C11H11F2N3O/c1-16-11-8(9(15-16)5-2-3-5)6(10(12)13)4-7(17)14-11/h4-5,10H,2-3H2,1H3,(H,14,17)
InChIKeyZRNPXQPHFKTLMJ-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.08
Rot. Bonds2

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

3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135645638) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135645638
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C2CC2)c2c(C(F)F)cc(=O)[nH]c21
InChIInChI=1S/C11H11F2N3O/c1-16-11-8(9(15-16)5-2-3-5)6(10(12)13)4-7(17)14-11/h4-5,10H,2-3H2,1H3,(H,14,17)
InChIKeyZRNPXQPHFKTLMJ-UHFFFAOYSA-N
XLogP2.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135645638) is 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(C2CC2)c2c(C(F)F)cc(=O)[nH]c21.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZRNPXQPHFKTLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-11-8(9(15-16)5-2-3-5)6(10(12)13)4-7(17)14-11/h4-5,10H,2-3H2,1H3,(H,14,17).
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 239.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135645638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).