[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone

C18H15FIN3O2S — CID 24739365

IUPAC[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCOCC1
InChIInChI=1S/C18H15FIN3O2S/c19-13-10-11(20)3-4-14(13)22-17-15(12-2-1-5-21-16(12)26-17)18(24)23-6-8-25-9-7-23/h1-5,10,22H,6-9H2
InChIKeySCFMZUCSJFISAD-UHFFFAOYSA-N
MW483.31 g/mol
LogP4.26
Rot. Bonds3

About [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone

[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 24739365) has the molecular formula C18H15FIN3O2S and a molecular weight of 483.31 g/mol. Its IUPAC name is [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID24739365
Molecular FormulaC18H15FIN3O2S
Molecular Weight483.31 g/mol
Exact Mass482.99
IUPAC Name[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCOCC1
InChIInChI=1S/C18H15FIN3O2S/c19-13-10-11(20)3-4-14(13)22-17-15(12-2-1-5-21-16(12)26-17)18(24)23-6-8-25-9-7-23/h1-5,10,22H,6-9H2
InChIKeySCFMZUCSJFISAD-UHFFFAOYSA-N
XLogP4.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]methanone
CID 67312240
(3R)-3-[[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 68920864
tert-butyl N-[[1-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]azetidin-3-yl]methyl]carbamate
CID 68918287
2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide
CID 68918422
[(1R)-2-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-1-hydroxy-2-oxoethyl] piperazine-1-carboxylate
CID 174640499
tert-butyl-[1-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]sulfonylazetidin-3-yl]carbamic acid
CID 25205274
tert-butyl N-[(3S)-1-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]sulfonylpyrrolidin-3-yl]carbamate
CID 25207541
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
tert-butyl 2-(2-fluoro-4-iodoanilino)-6-methoxythieno[2,3-b]pyridine-3-carboxylate
CID 135382834
[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228527
5-(2-fluoro-4-iodoanilino)-3,6,8-trimethyl-1-[3-(morpholine-4-carbonyl)phenyl]pyrido[4,3-d]pyrimidine-2,4,7-trione
CID 71730705

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone (CID 24739365) is [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone is O=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCOCC1.
What is the InChIKey of [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SCFMZUCSJFISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O2S/c19-13-10-11(20)3-4-14(13)22-17-15(12-2-1-5-21-16(12)26-17)18(24)23-6-8-25-9-7-23/h1-5,10,22H,6-9H2.
What are the key properties of [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 483.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24739365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).