6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide

C21H20ClN5O4S — CID 170417935

IUPAC6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnn(C)c3)cc(=O)c2c1
InChIInChI=1S/C21H20ClN5O4S/c1-11-6-14(12(2)25-16-4-5-19(22)26-21(16)32(23,29)30)20-15(7-11)17(28)8-18(31-20)13-9-24-27(3)10-13/h4-10,12,25H,1-3H3,(H2,23,29,30)/t12-/m1/s1
InChIKeyWIZKVUGRROFGGU-GFCCVEGCSA-N
MW473.94 g/mol
LogP3.37
Rot. Bonds5

About 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide

6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide (PubChem CID 170417935) has the molecular formula C21H20ClN5O4S and a molecular weight of 473.94 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
PubChem CID170417935
Molecular FormulaC21H20ClN5O4S
Molecular Weight473.94 g/mol
Exact Mass473.09
IUPAC Name6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnn(C)c3)cc(=O)c2c1
InChIInChI=1S/C21H20ClN5O4S/c1-11-6-14(12(2)25-16-4-5-19(22)26-21(16)32(23,29)30)20-15(7-11)17(28)8-18(31-20)13-9-24-27(3)10-13/h4-10,12,25H,1-3H3,(H2,23,29,30)/t12-/m1/s1
InChIKeyWIZKVUGRROFGGU-GFCCVEGCSA-N
XLogP3.37
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
CID 170417983
6-chloro-3-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 170414116
6-chloro-3-[[(1R)-1-(6-methyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 166111289
3-[[(1R)-1-[3-(1-amino-3-oxoprop-1-en-2-yl)-6-methyl-4-oxo-2-phenylchromen-8-yl]ethyl]amino]-6-chloropyridine-2-sulfonamide
CID 174153195
6-chloro-3-[1-[6-methyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 166147261
6-chloro-3-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethylamino]-N-pyridin-2-ylsulfonylpyridine-2-carboxamide
CID 174201928
6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 174163918
2-(3-amino-4-methanimidoylphenyl)-8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-6-methylchromen-4-one
CID 169270717
6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-3-(1,3-oxazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-carbonitrile
CID 170422038
6-chloro-3-[1-(6-methyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylamino]pyridine-2-carboxylic acid
CID 166111776
3-[1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethylamino]-6-fluoro-N-methylsulfonylpyridine-2-carboxamide
CID 174210497
N-tert-butyl-3-[[(1R)-1-[3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
CID 169270297

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
The IUPAC name of 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide (CID 170417935) is 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
The canonical SMILES for 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnn(C)c3)cc(=O)c2c1.
What is the InChIKey of 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
The InChIKey is WIZKVUGRROFGGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20ClN5O4S/c1-11-6-14(12(2)25-16-4-5-19(22)26-21(16)32(23,29)30)20-15(7-11)17(28)8-18(31-20)13-9-24-27(3)10-13/h4-10,12,25H,1-3H3,(H2,23,29,30)/t12-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide has a molecular weight of 473.94 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1R)-1-[6-methyl-2-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide is sourced from PubChem (CID 170417935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).