1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C26H19Cl2N5O4S — CID 57401091

IUPAC1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESNc1cc(Cn2c(C(=O)NS(=O)(=O)c3cccc(Cl)c3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1
InChIInChI=1S/C26H19Cl2N5O4S/c27-16-3-1-4-18(12-16)38(36,37)32-26(35)24-23(19-5-2-9-31-25(19)34)20-13-17(28)6-7-21(20)33(24)14-15-8-10-30-22(29)11-15/h1-13H,14H2,(H2,29,30)(H,31,34)(H,32,35)
InChIKeyJYZOTSYIQBHNNL-UHFFFAOYSA-N
MW568.44 g/mol
LogP4.45
Rot. Bonds6

About 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 57401091) has the molecular formula C26H19Cl2N5O4S and a molecular weight of 568.44 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID57401091
Molecular FormulaC26H19Cl2N5O4S
Molecular Weight568.44 g/mol
Exact Mass567.05
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESNc1cc(Cn2c(C(=O)NS(=O)(=O)c3cccc(Cl)c3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1
InChIInChI=1S/C26H19Cl2N5O4S/c27-16-3-1-4-18(12-16)38(36,37)32-26(35)24-23(19-5-2-9-31-25(19)34)20-13-17(28)6-7-21(20)33(24)14-15-8-10-30-22(29)11-15/h1-13H,14H2,(H2,29,30)(H,31,34)(H,32,35)
InChIKeyJYZOTSYIQBHNNL-UHFFFAOYSA-N
XLogP4.45
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.44
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 57401091) is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Nc1cc(Cn2c(C(=O)NS(=O)(=O)c3cccc(Cl)c3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is JYZOTSYIQBHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N5O4S/c27-16-3-1-4-18(12-16)38(36,37)32-26(35)24-23(19-5-2-9-31-25(19)34)20-13-17(28)6-7-21(20)33(24)14-15-8-10-30-22(29)11-15/h1-13H,14H2,(H2,29,30)(H,31,34)(H,32,35).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 568.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(3-chlorophenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 57401091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).