1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C23H29N5O5S — CID 16609454

IUPAC1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H29N5O5S/c1-14(2)33-20-7-6-17(34(30,31)28-8-10-32-11-9-28)13-19(20)25-23(29)18-12-15(3)24-22-21(18)16(4)26-27(22)5/h6-7,12-14H,8-11H2,1-5H3,(H,25,29)
InChIKeyWZACWWJTERPQBA-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.65
Rot. Bonds6

About 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16609454) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16609454
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC Name1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H29N5O5S/c1-14(2)33-20-7-6-17(34(30,31)28-8-10-32-11-9-28)13-19(20)25-23(29)18-12-15(3)24-22-21(18)16(4)26-27(22)5/h6-7,12-14H,8-11H2,1-5H3,(H,25,29)
InChIKeyWZACWWJTERPQBA-UHFFFAOYSA-N
XLogP2.65
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622286
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55684681
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 30725240
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 135968579
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25469310
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 4789512
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 16609454) is 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WZACWWJTERPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-14(2)33-20-7-6-17(34(30,31)28-8-10-32-11-9-28)13-19(20)25-23(29)18-12-15(3)24-22-21(18)16(4)26-27(22)5/h6-7,12-14H,8-11H2,1-5H3,(H,25,29).
What are the key properties of 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16609454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).