6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide

C27H25ClN4O6S — CID 171549398

IUPAC6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
SMILESCc1cc(C(C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3ccc4nn(CCO)cc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C27H25ClN4O6S/c1-14-10-19(16(3)37-22-6-7-23(28)30-27(22)39(29,35)36)26-20(11-14)24(34)15(2)25(38-26)17-4-5-21-18(12-17)13-32(31-21)8-9-33/h4-7,10-13,16,33H,8-9H2,1-3H3,(H2,29,35,36)
InChIKeyQJLWYNODAOWZKM-UHFFFAOYSA-N
MW569.04 g/mol
LogP4.25
Rot. Bonds7

About 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide

6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide (PubChem CID 171549398) has the molecular formula C27H25ClN4O6S and a molecular weight of 569.04 g/mol. Its IUPAC name is 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
PubChem CID171549398
Molecular FormulaC27H25ClN4O6S
Molecular Weight569.04 g/mol
Exact Mass568.12
IUPAC Name6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
SMILESCc1cc(C(C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3ccc4nn(CCO)cc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C27H25ClN4O6S/c1-14-10-19(16(3)37-22-6-7-23(28)30-27(22)39(29,35)36)26-20(11-14)24(34)15(2)25(38-26)17-4-5-21-18(12-17)13-32(31-21)8-9-33/h4-7,10-13,16,33H,8-9H2,1-3H3,(H2,29,35,36)
InChIKeyQJLWYNODAOWZKM-UHFFFAOYSA-N
XLogP4.25
TPSA150.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.04
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[1-[3,6-dimethyl-2-[1-(2-methylsulfinylethyl)pyrazol-4-yl]-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549020
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171611049
6-chloro-3-[(1R)-1-[2-(1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549107
6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyrazolo[1,5-a]pyrimidin-6-ylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171611180
6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171611174
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-(2-methylisoindol-5-yl)-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171611169
6-chloro-3-[(1R)-1-[3,6-dimethyl-2-[2-(oxetan-3-yl)indazol-5-yl]-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
CID 171549435
6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549185
2-[1-[8-[(1R)-1-[(6-chloro-2-sulfamoyl-3-pyridinyl)oxy]ethyl]-3,6-dimethyl-4-oxochromen-2-yl]cyclopropyl]acetic acid
CID 171549254
3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide
CID 171549065
8-[(1R)-1-[(6-chloro-2-fluoro-3-pyridinyl)oxy]ethyl]-3,6-dimethyl-2-(1-methylpyrazol-4-yl)chromen-4-one
CID 171611228
3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[1-[3,6-dimethyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethoxy]-6-fluoropyridine-2-carboxamide
CID 171549211

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
The IUPAC name of 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide (CID 171549398) is 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide.
What is the SMILES notation for 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
The canonical SMILES for 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide is Cc1cc(C(C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3ccc4nn(CCO)cc4c3)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
The InChIKey is QJLWYNODAOWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O6S/c1-14-10-19(16(3)37-22-6-7-23(28)30-27(22)39(29,35)36)26-20(11-14)24(34)15(2)25(38-26)17-4-5-21-18(12-17)13-32(31-21)8-9-33/h4-7,10-13,16,33H,8-9H2,1-3H3,(H2,29,35,36).
What are the key properties of 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?
6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide has a molecular weight of 569.04 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 171549398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).