4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide

C25H23F2N7O3 — CID 163387582

IUPAC4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Nc2ccc(F)nc2C)cc1Nc1cc(F)cc(-c2cnc(C)cn2)c1OC
InChIInChI=1S/C25H23F2N7O3/c1-13-10-29-21(12-28-13)16-7-15(26)8-20(24(16)36-3)32-19-9-23(30-11-17(19)25(35)34-37-4)33-18-5-6-22(27)31-14(18)2/h5-12H,1-4H3,(H,34,35)(H2,30,32,33)
InChIKeyKPZKMRQQTDSIAQ-UHFFFAOYSA-N
MW507.50 g/mol
LogP4.62
Rot. Bonds8

About 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide

4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide (PubChem CID 163387582) has the molecular formula C25H23F2N7O3 and a molecular weight of 507.50 g/mol. Its IUPAC name is 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide
PubChem CID163387582
Molecular FormulaC25H23F2N7O3
Molecular Weight507.50 g/mol
Exact Mass507.18
IUPAC Name4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Nc2ccc(F)nc2C)cc1Nc1cc(F)cc(-c2cnc(C)cn2)c1OC
InChIInChI=1S/C25H23F2N7O3/c1-13-10-29-21(12-28-13)16-7-15(26)8-20(24(16)36-3)32-19-9-23(30-11-17(19)25(35)34-37-4)33-18-5-6-22(27)31-14(18)2/h5-12H,1-4H3,(H,34,35)(H2,30,32,33)
InChIKeyKPZKMRQQTDSIAQ-UHFFFAOYSA-N
XLogP4.62
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,5-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridine-3-carboxamide
CID 167101505
CID 174037329
CID 174037329
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
N-ethoxy-4-[5-fluoro-2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387624
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
6-[(5-fluoro-2-pyridinyl)amino]-N-methoxy-4-[3-(1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyridine-3-carboxamide
CID 163387397
6-(cyclopropanecarbonylamino)-4-[5-fluoro-3-[5-(1-hydroxyethyl)pyrazin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492838
CID 174036910
CID 174036910
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153927
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide?
The IUPAC name of 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide (CID 163387582) is 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide is CONC(=O)c1cnc(Nc2ccc(F)nc2C)cc1Nc1cc(F)cc(-c2cnc(C)cn2)c1OC.
What is the InChIKey of 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide?
The InChIKey is KPZKMRQQTDSIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O3/c1-13-10-29-21(12-28-13)16-7-15(26)8-20(24(16)36-3)32-19-9-23(30-11-17(19)25(35)34-37-4)33-18-5-6-22(27)31-14(18)2/h5-12H,1-4H3,(H,34,35)(H2,30,32,33).
What are the key properties of 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide?
4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide has a molecular weight of 507.50 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 163387582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).