4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

C24H23FN4O4S — CID 20746006

IUPAC4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2c(F)c(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc21
InChIInChI=1S/C24H23FN4O4S/c1-13-10-15-17(29(13)24(31)26-2)4-5-18(21(15)25)33-19-6-8-27-16-11-20(34-22(16)19)23(30)28-9-7-14(12-28)32-3/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,26,31)
InChIKeyFFOAJSCDMFTKAL-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.54
Rot. Bonds4

About 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (PubChem CID 20746006) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
PubChem CID20746006
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Name4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2c(F)c(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc21
InChIInChI=1S/C24H23FN4O4S/c1-13-10-15-17(29(13)24(31)26-2)4-5-18(21(15)25)33-19-6-8-27-16-11-20(34-22(16)19)23(30)28-9-7-14(12-28)32-3/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,26,31)
InChIKeyFFOAJSCDMFTKAL-UHFFFAOYSA-N
XLogP4.54
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456628
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 10050758
[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
CID 142802089
5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746035
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746036
3-chloro-4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide
CID 20745994
6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-2-propan-2-yl-1-benzofuran-3-carboxamide
CID 10005904
N-cyclopropyl-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;N-(4-hydroxybut-2-ynyl)-5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide;5-[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide;5-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-N-prop-2-ynylindole-1-carboxamide;5-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 158215569
6-[2-[(3S)-3-butoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-5-fluoronaphthalene-1-carbonyl chloride
CID 143009861
(4-nitrophenyl) 4-fluoro-5-[2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxylate
CID 20746009
1-[2-ethyl-6-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzofuran-3-yl]propan-1-one
CID 23572867

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The IUPAC name of 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (CID 20746006) is 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.
What is the SMILES notation for 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The canonical SMILES for 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is CNC(=O)n1c(C)cc2c(F)c(Oc3ccnc4cc(C(=O)N5CCC(OC)C5)sc34)ccc21.
What is the InChIKey of 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The InChIKey is FFOAJSCDMFTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-13-10-15-17(29(13)24(31)26-2)4-5-18(21(15)25)33-19-6-8-27-16-11-20(34-22(16)19)23(30)28-9-7-14(12-28)32-3/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,26,31).
What are the key properties of 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 20746006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).