2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

C26H19F2N5O3S — CID 123855499

IUPAC2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
SMILESCN(C)c1nc2cc(C(=O)Nc3ccc(Oc4ccncc4)c(F)c3)c(=O)n(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C26H19F2N5O3S/c1-32(2)26-31-21-14-19(24(35)33(25(21)37-26)17-6-3-15(27)4-7-17)23(34)30-16-5-8-22(20(28)13-16)36-18-9-11-29-12-10-18/h3-14H,1-2H3,(H,30,34)
InChIKeyJUNCRIYMXWSXNP-UHFFFAOYSA-N
MW519.53 g/mol
LogP5.23
Rot. Bonds6

About 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 123855499) has the molecular formula C26H19F2N5O3S and a molecular weight of 519.53 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
PubChem CID123855499
Molecular FormulaC26H19F2N5O3S
Molecular Weight519.53 g/mol
Exact Mass519.12
IUPAC Name2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
SMILESCN(C)c1nc2cc(C(=O)Nc3ccc(Oc4ccncc4)c(F)c3)c(=O)n(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C26H19F2N5O3S/c1-32(2)26-31-21-14-19(24(35)33(25(21)37-26)17-6-3-15(27)4-7-17)23(34)30-16-5-8-22(20(28)13-16)36-18-9-11-29-12-10-18/h3-14H,1-2H3,(H,30,34)
InChIKeyJUNCRIYMXWSXNP-UHFFFAOYSA-N
XLogP5.23
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123595848
N-[4-[2-fluoro-4-[[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 71488984
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 71488776
1-(cyclopropylmethyl)-N-[4-[[2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177374
N-[4-[[2-[4-(dimethylamino)but-2-enoylamino]-4-pyridinyl]oxy]-3-fluorophenyl]-8-(4-fluorophenyl)-9-oxo-6-thia-8-azatricyclo[5.4.0.02,4]undeca-1(7),4,10-triene-10-carboxamide
CID 123770557
N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 46241921
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5,6-dimethyl-2-oxopyridine-3-carboxamide
CID 58158592
N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 46240360
N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177442
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5-methyl-6-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 146432134
N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169302869
N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964325

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (CID 123855499) is 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is CN(C)c1nc2cc(C(=O)Nc3ccc(Oc4ccncc4)c(F)c3)c(=O)n(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is JUNCRIYMXWSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O3S/c1-32(2)26-31-21-14-19(24(35)33(25(21)37-26)17-6-3-15(27)4-7-17)23(34)30-16-5-8-22(20(28)13-16)36-18-9-11-29-12-10-18/h3-14H,1-2H3,(H,30,34).
What are the key properties of 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 123855499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).