N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C23H31N5O4S — CID 16622286

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C23H31N5O4S/c1-8-28(9-2)33(30,31)17-10-11-20(32-14(3)4)19(13-17)25-23(29)18-12-15(5)24-22-21(18)16(6)26-27(22)7/h10-14H,8-9H2,1-7H3,(H,25,29)
InChIKeyRYDWYCGAXHYSBM-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.66
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16622286) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16622286
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C23H31N5O4S/c1-8-28(9-2)33(30,31)17-10-11-20(32-14(3)4)19(13-17)25-23(29)18-12-15(5)24-22-21(18)16(6)26-27(22)7/h10-14H,8-9H2,1-7H3,(H,25,29)
InChIKeyRYDWYCGAXHYSBM-UHFFFAOYSA-N
XLogP3.66
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609454
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
CID 26354825
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 24509414
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675219
N-[3-(methanesulfonamido)-4-methoxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 24673298
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 16622286) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is RYDWYCGAXHYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-8-28(9-2)33(30,31)17-10-11-20(32-14(3)4)19(13-17)25-23(29)18-12-15(5)24-22-21(18)16(6)26-27(22)7/h10-14H,8-9H2,1-7H3,(H,25,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).