4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

C22H25FN4O6S — CID 175083925

IUPAC4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)NS(C)(=O)=O)cc(OCC3CCOOC3)c12
InChIInChI=1S/C22H25FN4O6S/c1-13(2)20-19-18(31-11-14-8-9-32-33-12-14)10-17(22(28)26-34(3,29)30)24-21(19)27(25-20)16-6-4-15(23)5-7-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,26,28)
InChIKeyJYANYQJWZMSVOX-UHFFFAOYSA-N
MW492.53 g/mol
LogP2.72
Rot. Bonds7

About 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 175083925) has the molecular formula C22H25FN4O6S and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID175083925
Molecular FormulaC22H25FN4O6S
Molecular Weight492.53 g/mol
Exact Mass492.15
IUPAC Name4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)NS(C)(=O)=O)cc(OCC3CCOOC3)c12
InChIInChI=1S/C22H25FN4O6S/c1-13(2)20-19-18(31-11-14-8-9-32-33-12-14)10-17(22(28)26-34(3,29)30)24-21(19)27(25-20)16-6-4-15(23)5-7-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,26,28)
InChIKeyJYANYQJWZMSVOX-UHFFFAOYSA-N
XLogP2.72
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 175083925) is 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)NS(C)(=O)=O)cc(OCC3CCOOC3)c12.
What is the InChIKey of 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is JYANYQJWZMSVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O6S/c1-13(2)20-19-18(31-11-14-8-9-32-33-12-14)10-17(22(28)26-34(3,29)30)24-21(19)27(25-20)16-6-4-15(23)5-7-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H,26,28).
What are the key properties of 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 175083925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).