N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide

C20H22N4O4S — CID 9076354

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22N4O4S/c1-28-17-10-9-14(13-18(17)29(26,27)24-11-5-2-6-12-24)21-20(25)19-15-7-3-4-8-16(15)22-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyMGXPOFVTTBGHSC-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.00
Rot. Bonds5

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide (PubChem CID 9076354) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
PubChem CID9076354
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22N4O4S/c1-28-17-10-9-14(13-18(17)29(26,27)24-11-5-2-6-12-24)21-20(25)19-15-7-3-4-8-16(15)22-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyMGXPOFVTTBGHSC-UHFFFAOYSA-N
XLogP3.00
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide (CID 9076354) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is MGXPOFVTTBGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-17-10-9-14(13-18(17)29(26,27)24-11-5-2-6-12-24)21-20(25)19-15-7-3-4-8-16(15)22-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 9076354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).