2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide

C18H17FIN3O3S — CID 68918422

IUPAC2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide
SMILESO=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N(CCO)CCO
InChIInChI=1S/C18H17FIN3O3S/c19-13-10-11(20)3-4-14(13)22-17-15(12-2-1-5-21-16(12)27-17)18(26)23(6-8-24)7-9-25/h1-5,10,22,24-25H,6-9H2
InChIKeySRDWFRKRSMXTDL-UHFFFAOYSA-N
MW501.32 g/mol
LogP3.21
Rot. Bonds7

About 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide (PubChem CID 68918422) has the molecular formula C18H17FIN3O3S and a molecular weight of 501.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide
PubChem CID68918422
Molecular FormulaC18H17FIN3O3S
Molecular Weight501.32 g/mol
Exact Mass501.00
IUPAC Name2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide
SMILESO=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N(CCO)CCO
InChIInChI=1S/C18H17FIN3O3S/c19-13-10-11(20)3-4-14(13)22-17-15(12-2-1-5-21-16(12)27-17)18(26)23(6-8-24)7-9-25/h1-5,10,22,24-25H,6-9H2
InChIKeySRDWFRKRSMXTDL-UHFFFAOYSA-N
XLogP3.21
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.32
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 66853447
[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]methanone
CID 67312240
[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 24739365
[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-[(3S,4S)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]methanone
CID 67310289
tert-butyl N-[[1-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]azetidin-3-yl]methyl]carbamate
CID 68918287
(3R)-3-[[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 68920864
[(1R)-2-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-1-hydroxy-2-oxoethyl] piperazine-1-carboxylate
CID 174640499
2-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]-3-hydroxyazetidine-1-carbaldehyde
CID 175942974
tert-butyl N-[(3R)-1-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 68917503
4-tert-butyl-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 135382524
tert-butyl-[1-[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridin-3-yl]sulfonylazetidin-3-yl]carbamic acid
CID 25205274
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-2-(2-fluoro-4-iodoanilino)-5,5-dimethyl-8-oxo-6,7-dihydro-4H-thieno[2,3-c]azepine-3-carboxamide
CID 90839409

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide (CID 68918422) is 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide is O=C(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N(CCO)CCO.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is SRDWFRKRSMXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FIN3O3S/c19-13-10-11(20)3-4-14(13)22-17-15(12-2-1-5-21-16(12)27-17)18(26)23(6-8-24)7-9-25/h1-5,10,22,24-25H,6-9H2.
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 501.32 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N,N-bis(2-hydroxyethyl)thieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 68918422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).