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

C29H22F2N6O5S — CID 71488984

IUPACN-[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
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1)c1cc2ncsc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C29H22F2N6O5S/c30-17-1-4-19(5-2-17)37-27(39)21(15-23-28(37)43-16-33-23)26(38)34-18-3-6-24(22(31)13-18)42-20-7-8-32-25(14-20)35-29(40)36-9-11-41-12-10-36/h1-8,13-16H,9-12H2,(H,34,38)(H,32,35,40)
InChIKeyQLBIAZAUJRXTSO-UHFFFAOYSA-N
MW604.60 g/mol
LogP5.03
Rot. Bonds6

About 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

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 (PubChem CID 71488984) has the molecular formula C29H22F2N6O5S and a molecular weight of 604.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID71488984
Molecular FormulaC29H22F2N6O5S
Molecular Weight604.60 g/mol
Exact Mass604.13
IUPAC NameN-[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
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1)c1cc2ncsc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C29H22F2N6O5S/c30-17-1-4-19(5-2-17)37-27(39)21(15-23-28(37)43-16-33-23)26(38)34-18-3-6-24(22(31)13-18)42-20-7-8-32-25(14-20)35-29(40)36-9-11-41-12-10-36/h1-8,13-16H,9-12H2,(H,34,38)(H,32,35,40)
InChIKeyQLBIAZAUJRXTSO-UHFFFAOYSA-N
XLogP5.03
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.60
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 164626343
N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177372
N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153290
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
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
N-[3-chloro-4-[2-fluoro-4-[2-[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2-oxoethyl]phenoxy]-2-pyridinyl]-4-methylpiperazine-1-carboxamide
CID 160570977
3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide
CID 175548235
N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide
CID 58268724
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
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-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 173493244

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1)c1cc2ncsc2n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 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?
The InChIKey is QLBIAZAUJRXTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N6O5S/c30-17-1-4-19(5-2-17)37-27(39)21(15-23-28(37)43-16-33-23)26(38)34-18-3-6-24(22(31)13-18)42-20-7-8-32-25(14-20)35-29(40)36-9-11-41-12-10-36/h1-8,13-16H,9-12H2,(H,34,38)(H,32,35,40).
What are the key properties of 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?
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 has a molecular weight of 604.60 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71488984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).