N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C20H23N5O4S — CID 66613826

IUPACN-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1
InChIInChI=1S/C20H23N5O4S/c1-29-17-6-8-25(9-7-17)30(27,28)18-4-2-14(3-5-18)11-22-20(26)16-10-15-13-23-24-19(15)21-12-16/h2-5,10,12-13,17H,6-9,11H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyRTCITHSVWFMIGN-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.69
Rot. Bonds6

About N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 66613826) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID66613826
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1
InChIInChI=1S/C20H23N5O4S/c1-29-17-6-8-25(9-7-17)30(27,28)18-4-2-14(3-5-18)11-22-20(26)16-10-15-13-23-24-19(15)21-12-16/h2-5,10,12-13,17H,6-9,11H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyRTCITHSVWFMIGN-UHFFFAOYSA-N
XLogP1.69
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 66613826) is N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is COC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RTCITHSVWFMIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-29-17-6-8-25(9-7-17)30(27,28)18-4-2-14(3-5-18)11-22-20(26)16-10-15-13-23-24-19(15)21-12-16/h2-5,10,12-13,17H,6-9,11H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 66613826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).