4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide

C24H20Cl2N6O5S — CID 145367851

IUPAC4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)Nc3cnccn3)cc2)cc2c(Cl)c(Cl)c(OCC3CNC(=O)O3)cc21
InChIInChI=1S/C24H20Cl2N6O5S/c1-32-17-9-19(36-12-14-10-29-24(34)37-14)22(26)21(25)16(17)8-18(32)23(33)30-13-2-4-15(5-3-13)38(35)31-20-11-27-6-7-28-20/h2-9,11,14H,10,12H2,1H3,(H,28,31)(H,29,34)(H,30,33)
InChIKeyFDCJDOGDIHXRIX-UHFFFAOYSA-N
MW575.43 g/mol
LogP4.15
Rot. Bonds8

About 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide

4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide (PubChem CID 145367851) has the molecular formula C24H20Cl2N6O5S and a molecular weight of 575.43 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide
PubChem CID145367851
Molecular FormulaC24H20Cl2N6O5S
Molecular Weight575.43 g/mol
Exact Mass574.06
IUPAC Name4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)Nc3cnccn3)cc2)cc2c(Cl)c(Cl)c(OCC3CNC(=O)O3)cc21
InChIInChI=1S/C24H20Cl2N6O5S/c1-32-17-9-19(36-12-14-10-29-24(34)37-14)22(26)21(25)16(17)8-18(32)23(33)30-13-2-4-15(5-3-13)38(35)31-20-11-27-6-7-28-20/h2-9,11,14H,10,12H2,1H3,(H,28,31)(H,29,34)(H,30,33)
InChIKeyFDCJDOGDIHXRIX-UHFFFAOYSA-N
XLogP4.15
TPSA136.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.43
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
CID 130420503
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
(4-methoxy-1-methylindol-2-yl)-[(2S)-2-[5-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125003326
N-[4-(2-amino-2-oxoethyl)-1-(pyrazin-2-ylamino)sulfanylpiperidin-4-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 145367609
5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
methyl 2-[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]-1-(pyrazin-2-ylsulfamoyl)piperidin-3-yl]acetate
CID 130408290
methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate
CID 161280688
4-chloro-1,5-dimethyl-N-[4-(1H-pyrazol-5-ylamino)sulfanylphenyl]indole-2-carboxamide
CID 145367749
4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
CID 130408616
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
1,2-benzoxazole;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 68913573

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide (CID 145367851) is 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)Nc3cnccn3)cc2)cc2c(Cl)c(Cl)c(OCC3CNC(=O)O3)cc21.
What is the InChIKey of 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide?
The InChIKey is FDCJDOGDIHXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O5S/c1-32-17-9-19(36-12-14-10-29-24(34)37-14)22(26)21(25)16(17)8-18(32)23(33)30-13-2-4-15(5-3-13)38(35)31-20-11-27-6-7-28-20/h2-9,11,14H,10,12H2,1H3,(H,28,31)(H,29,34)(H,30,33).
What are the key properties of 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide?
4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide has a molecular weight of 575.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-N-(4-pyrazin-2-ylsulfinamoylphenyl)indole-2-carboxamide is sourced from PubChem (CID 145367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).