2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone

C28H30N4O2S — CID 159313197

IUPAC2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone
SMILESCC[C@@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)CC3CC3)c2s1
InChIInChI=1S/C28H30N4O2S/c1-3-21-5-4-12-31(21)28(34)25-16-23-27(35-25)22(10-11-29-23)30-20-8-9-24-19(15-20)13-17(2)32(24)26(33)14-18-6-7-18/h8-11,13,15-16,18,21H,3-7,12,14H2,1-2H3,(H,29,30)/t21-/m1/s1
InChIKeyBYIFLUJWXYYKCQ-OAQYLSRUSA-N
MW486.64 g/mol
LogP6.76
Rot. Bonds6

About 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone

2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone (PubChem CID 159313197) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone
PubChem CID159313197
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC Name2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone
SMILESCC[C@@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)CC3CC3)c2s1
InChIInChI=1S/C28H30N4O2S/c1-3-21-5-4-12-31(21)28(34)25-16-23-27(35-25)22(10-11-29-23)30-20-8-9-24-19(15-20)13-17(2)32(24)26(33)14-18-6-7-18/h8-11,13,15-16,18,21H,3-7,12,14H2,1-2H3,(H,29,30)/t21-/m1/s1
InChIKeyBYIFLUJWXYYKCQ-OAQYLSRUSA-N
XLogP6.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone with MolForge

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Related Compounds

5-[[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]amino]-N,2-dimethylindole-1-carboxamide
CID 20746038
[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401146
N-butyl-N-(2-methoxyethyl)-7-[[2-methyl-1-(prop-2-ynylcarbamoyl)indol-5-yl]amino]thieno[3,2-b]pyridine-2-carboxamide
CID 142802092
(7-chlorothieno[3,2-b]pyridin-2-yl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 22143587
[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401155
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312606
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746097
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
[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312617
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746036

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone (CID 159313197) is 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone is CC[C@@H]1CCCN1C(=O)c1cc2nccc(Nc3ccc4c(c3)cc(C)n4C(=O)CC3CC3)c2s1.
What is the InChIKey of 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone?
The InChIKey is BYIFLUJWXYYKCQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-3-21-5-4-12-31(21)28(34)25-16-23-27(35-25)22(10-11-29-23)30-20-8-9-24-19(15-20)13-17(2)32(24)26(33)14-18-6-7-18/h8-11,13,15-16,18,21H,3-7,12,14H2,1-2H3,(H,29,30)/t21-/m1/s1.
What are the key properties of 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone?
2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone has a molecular weight of 486.64 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindol-1-yl]ethanone is sourced from PubChem (CID 159313197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).