N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide

C24H30N4O3S — CID 170623135

IUPACN-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-2-3-17-32(30,31)27-15-13-20(14-16-27)28(18-19-9-5-4-6-10-19)24(29)23-21-11-7-8-12-22(21)25-26-23/h4-12,20H,2-3,13-18H2,1H3,(H,25,26)
InChIKeyODXMHRWBHPJOKU-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.80
Rot. Bonds8

About N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide

N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 170623135) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID170623135
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-2-3-17-32(30,31)27-15-13-20(14-16-27)28(18-19-9-5-4-6-10-19)24(29)23-21-11-7-8-12-22(21)25-26-23/h4-12,20H,2-3,13-18H2,1H3,(H,25,26)
InChIKeyODXMHRWBHPJOKU-UHFFFAOYSA-N
XLogP3.80
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 170623135) is N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide is CCCCS(=O)(=O)N1CCC(N(Cc2ccccc2)C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is ODXMHRWBHPJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-2-3-17-32(30,31)27-15-13-20(14-16-27)28(18-19-9-5-4-6-10-19)24(29)23-21-11-7-8-12-22(21)25-26-23/h4-12,20H,2-3,13-18H2,1H3,(H,25,26).
What are the key properties of N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide?
N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-butylsulfonylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 170623135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).