6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H28N4O3S — CID 55498299

IUPAC6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C26H28N4O3S/c1-16(2)30-25-23(15-27-30)22(14-24(29-25)20-8-6-17(3)7-9-20)26(31)28-18(4)19-10-12-21(13-11-19)34(5,32)33/h6-16,18H,1-5H3,(H,28,31)
InChIKeyRWRNKLNKAHNWSR-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.88
Rot. Bonds6

About 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55498299) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55498299
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C26H28N4O3S/c1-16(2)30-25-23(15-27-30)22(14-24(29-25)20-8-6-17(3)7-9-20)26(31)28-18(4)19-10-12-21(13-11-19)34(5,32)33/h6-16,18H,1-5H3,(H,28,31)
InChIKeyRWRNKLNKAHNWSR-UHFFFAOYSA-N
XLogP4.88
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55498299) is 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RWRNKLNKAHNWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-16(2)30-25-23(15-27-30)22(14-24(29-25)20-8-6-17(3)7-9-20)26(31)28-18(4)19-10-12-21(13-11-19)34(5,32)33/h6-16,18H,1-5H3,(H,28,31).
What are the key properties of 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55498299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).