N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C23H24N6O4S — CID 23551908

IUPACN-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C23H24N6O4S/c1-15-7-10-19(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)25-12-17-8-9-18-20(11-17)26-27-22(18)24/h2-11,28H,12-14H2,1H3,(H,25,30)(H3,24,26,27)
InChIKeyDTBUIBMOCNSWKE-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.87
Rot. Bonds8

About N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 23551908) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID23551908
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C23H24N6O4S/c1-15-7-10-19(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)25-12-17-8-9-18-20(11-17)26-27-22(18)24/h2-11,28H,12-14H2,1H3,(H,25,30)(H3,24,26,27)
InChIKeyDTBUIBMOCNSWKE-UHFFFAOYSA-N
XLogP1.87
TPSA151.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 23551908) is N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)n[nH]c2c1.
What is the InChIKey of N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is DTBUIBMOCNSWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-15-7-10-19(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)25-12-17-8-9-18-20(11-17)26-27-22(18)24/h2-11,28H,12-14H2,1H3,(H,25,30)(H3,24,26,27).
What are the key properties of N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 480.55 g/mol, XLogP of 1.87, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-indazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 23551908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).