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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Related Compounds

1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 172861705
1-(4-fluorophenyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741447
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
2-[1-(4-fluorophenyl)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl]-N-methylsulfonylacetamide
CID 164606437
methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
CID 126753168
4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743725
methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743252
N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742680
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742730
1-(4-fluorophenyl)-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743419
4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126753589

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).