6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide

C25H22ClN5O4S — CID 170417983

IUPAC6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3ccc4nn(C)cc4c3)cc(=O)c2c1
InChIInChI=1S/C25H22ClN5O4S/c1-13-8-17(14(2)28-20-6-7-23(26)29-25(20)36(27,33)34)24-18(9-13)21(32)11-22(35-24)15-4-5-19-16(10-15)12-31(3)30-19/h4-12,14,28H,1-3H3,(H2,27,33,34)/t14-/m1/s1
InChIKeyNHHHJTKMPQJKKQ-CQSZACIVSA-N
MW524.00 g/mol
LogP4.52
Rot. Bonds5

About 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide

6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide (PubChem CID 170417983) has the molecular formula C25H22ClN5O4S and a molecular weight of 524.00 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
PubChem CID170417983
Molecular FormulaC25H22ClN5O4S
Molecular Weight524.00 g/mol
Exact Mass523.11
IUPAC Name6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Nc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3ccc4nn(C)cc4c3)cc(=O)c2c1
InChIInChI=1S/C25H22ClN5O4S/c1-13-8-17(14(2)28-20-6-7-23(26)29-25(20)36(27,33)34)24-18(9-13)21(32)11-22(35-24)15-4-5-19-16(10-15)12-31(3)30-19/h4-12,14,28H,1-3H3,(H2,27,33,34)/t14-/m1/s1
InChIKeyNHHHJTKMPQJKKQ-CQSZACIVSA-N
XLogP4.52
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 54.52
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-(1-methylpyrazol-4-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide
CID 170417935
6-chloro-3-[1-[3,6-dimethyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 166147331
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-4-oxo-2-phenylchromen-8-yl)ethyl]amino]pyridine-2-carboxylic acid
CID 166111289
6-chloro-3-[1-[2-(3-fluoro-4-methylphenyl)-6-methyl-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 174163918
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-[2-[2-(2-hydroxyethyl)indazol-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549398
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
tert-butyl 3-[1-[2-[4-amino-3-(methyliminomethyl)phenyl]-6-methyl-4-oxochromen-8-yl]ethylamino]-6-chloropyridine-2-carboxylate
CID 166147067
3-[5-chloro-2-[[(1R)-1-[3,6-dimethyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 170671076
2-[2-[[(1R)-1-[3,6-dimethyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]phenyl]sulfonylacetamide
CID 175900473
6-chloro-3-[1-[2-(2,7-dimethylindazol-5-yl)-4-oxo-6-(trifluoromethyl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 166147123

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
The IUPAC name of 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide (CID 170417983) is 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
The canonical SMILES for 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Nc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3ccc4nn(C)cc4c3)cc(=O)c2c1.
What is the InChIKey of 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
The InChIKey is NHHHJTKMPQJKKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C25H22ClN5O4S/c1-13-8-17(14(2)28-20-6-7-23(26)29-25(20)36(27,33)34)24-18(9-13)21(32)11-22(35-24)15-4-5-19-16(10-15)12-31(3)30-19/h4-12,14,28H,1-3H3,(H2,27,33,34)/t14-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide?
6-chloro-3-[[(1R)-1-[6-methyl-2-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide has a molecular weight of 524.00 g/mol, XLogP of 4.52, 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-(2-methylindazol-5-yl)-4-oxochromen-8-yl]ethyl]amino]pyridine-2-sulfonamide is sourced from PubChem (CID 170417983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).