1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C10H8F5N3O — CID 135645637

IUPAC1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(C(F)(F)C(F)(F)F)c12
InChIInChI=1S/C10H8F5N3O/c1-4-7-5(9(11,12)10(13,14)15)3-6(19)16-8(7)18(2)17-4/h3H,1-2H3,(H,16,19)
InChIKeyOVZSYRZJPBKQJO-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.22
Rot. Bonds1

About 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135645637) has the molecular formula C10H8F5N3O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135645637
Molecular FormulaC10H8F5N3O
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(C(F)(F)C(F)(F)F)c12
InChIInChI=1S/C10H8F5N3O/c1-4-7-5(9(11,12)10(13,14)15)3-6(19)16-8(7)18(2)17-4/h3H,1-2H3,(H,16,19)
InChIKeyOVZSYRZJPBKQJO-UHFFFAOYSA-N
XLogP2.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135645637) is 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2[nH]c(=O)cc(C(F)(F)C(F)(F)F)c12.
What is the InChIKey of 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OVZSYRZJPBKQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3O/c1-4-7-5(9(11,12)10(13,14)15)3-6(19)16-8(7)18(2)17-4/h3H,1-2H3,(H,16,19).
What are the key properties of 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 281.18 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135645637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).