6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide

C19H20ClN7O2 — CID 170960782

IUPAC6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Cl)cc1Nc1cccc2c1N(C)[C@@H](C)c1nc(C)nn1-2
InChIInChI=1S/C19H20ClN7O2/c1-10-18-22-11(2)24-27(18)15-7-5-6-13(17(15)26(10)3)23-14-8-16(20)21-9-12(14)19(28)25-29-4/h5-10H,1-4H3,(H,21,23)(H,25,28)/t10-/m0/s1
InChIKeyNFHZUDXVIKVXCV-JTQLQIEISA-N
MW413.87 g/mol
LogP3.17
Rot. Bonds4

About 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide

6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide (PubChem CID 170960782) has the molecular formula C19H20ClN7O2 and a molecular weight of 413.87 g/mol. Its IUPAC name is 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide
PubChem CID170960782
Molecular FormulaC19H20ClN7O2
Molecular Weight413.87 g/mol
Exact Mass413.14
IUPAC Name6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Cl)cc1Nc1cccc2c1N(C)[C@@H](C)c1nc(C)nn1-2
InChIInChI=1S/C19H20ClN7O2/c1-10-18-22-11(2)24-27(18)15-7-5-6-13(17(15)26(10)3)23-14-8-16(20)21-9-12(14)19(28)25-29-4/h5-10H,1-4H3,(H,21,23)(H,25,28)/t10-/m0/s1
InChIKeyNFHZUDXVIKVXCV-JTQLQIEISA-N
XLogP3.17
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid
CID 174213291
N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide
CID 170960773
6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide
CID 174212169
6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164902866
N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170347942
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
CID 134439018
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175973858
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
N-[4-[(2,6-dimethyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzodiazepin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600322
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-cyclopentylmethanone
CID 162355190

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide (CID 170960782) is 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide is CONC(=O)c1cnc(Cl)cc1Nc1cccc2c1N(C)[C@@H](C)c1nc(C)nn1-2.
What is the InChIKey of 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide?
The InChIKey is NFHZUDXVIKVXCV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H20ClN7O2/c1-10-18-22-11(2)24-27(18)15-7-5-6-13(17(15)26(10)3)23-14-8-16(20)21-9-12(14)19(28)25-29-4/h5-10H,1-4H3,(H,21,23)(H,25,28)/t10-/m0/s1.
What are the key properties of 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide?
6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide has a molecular weight of 413.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 170960782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).