1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H23N5O3S — CID 60565138

IUPAC1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NS(=O)(=O)N3CCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C20H23N5O3S/c1-2-25-19-17(14-21-25)16(13-18(22-19)15-9-5-3-6-10-15)20(26)23-29(27,28)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,23,26)
InChIKeyFRUHUAOSLLFTBI-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.58
Rot. Bonds5

About 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60565138) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60565138
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)NS(=O)(=O)N3CCCCC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C20H23N5O3S/c1-2-25-19-17(14-21-25)16(13-18(22-19)15-9-5-3-6-10-15)20(26)23-29(27,28)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,23,26)
InChIKeyFRUHUAOSLLFTBI-UHFFFAOYSA-N
XLogP2.58
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60565138) is 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NS(=O)(=O)N3CCCCC3)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FRUHUAOSLLFTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-2-25-19-17(14-21-25)16(13-18(22-19)15-9-5-3-6-10-15)20(26)23-29(27,28)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-phenyl-N-piperidin-1-ylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60565138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).