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

C9H9F2N3O — CID 135636325

IUPAC4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(C(F)F)c12
InChIInChI=1S/C9H9F2N3O/c1-4-7-5(8(10)11)3-6(15)12-9(7)14(2)13-4/h3,8H,1-2H3,(H,12,15)
InChIKeySATCSZMTGGRCHX-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.51
Rot. Bonds1

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

4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135636325) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135636325
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(C(F)F)c12
InChIInChI=1S/C9H9F2N3O/c1-4-7-5(8(10)11)3-6(15)12-9(7)14(2)13-4/h3,8H,1-2H3,(H,12,15)
InChIKeySATCSZMTGGRCHX-UHFFFAOYSA-N
XLogP1.51
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135636325) is 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2[nH]c(=O)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SATCSZMTGGRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-4-7-5(8(10)11)3-6(15)12-9(7)14(2)13-4/h3,8H,1-2H3,(H,12,15).
What are the key properties of 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 213.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135636325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).