4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one

C11H13F2N3O — CID 135562165

IUPAC4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C(C)C)c2[nH]c(=O)cc(C(F)F)c12
InChIInChI=1S/C11H13F2N3O/c1-5(2)16-11-9(6(3)15-16)7(10(12)13)4-8(17)14-11/h4-5,10H,1-3H3,(H,14,17)
InChIKeyFRXIXVOTWGKAAC-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.55
Rot. Bonds2

About 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one

4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135562165) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135562165
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C(C)C)c2[nH]c(=O)cc(C(F)F)c12
InChIInChI=1S/C11H13F2N3O/c1-5(2)16-11-9(6(3)15-16)7(10(12)13)4-8(17)14-11/h4-5,10H,1-3H3,(H,14,17)
InChIKeyFRXIXVOTWGKAAC-UHFFFAOYSA-N
XLogP2.55
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.55
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-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135562165) is 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C(C)C)c2[nH]c(=O)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is FRXIXVOTWGKAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-5(2)16-11-9(6(3)15-16)7(10(12)13)4-8(17)14-11/h4-5,10H,1-3H3,(H,14,17).
What are the key properties of 4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 241.24 g/mol, XLogP of 2.55, 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-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135562165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).