methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate

C24H30N4O5S — CID 20604575

IUPACmethyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)C(Cc1cscn1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
InChIInChI=1S/C24H30N4O5S/c1-16-21(23(29)26-19(24(30)32-3)13-17-14-34-15-25-17)18-5-4-6-20(31-2)22(18)28(16)8-7-27-9-11-33-12-10-27/h4-6,14-15,19H,7-13H2,1-3H3,(H,26,29)
InChIKeyDASJZLRMPZWLLM-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.26
Rot. Bonds9

About methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate

methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate (PubChem CID 20604575) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate
PubChem CID20604575
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Namemethyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)C(Cc1cscn1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
InChIInChI=1S/C24H30N4O5S/c1-16-21(23(29)26-19(24(30)32-3)13-17-14-34-15-25-17)18-5-4-6-20(31-2)22(18)28(16)8-7-27-9-11-33-12-10-27/h4-6,14-15,19H,7-13H2,1-3H3,(H,26,29)
InChIKeyDASJZLRMPZWLLM-UHFFFAOYSA-N
XLogP2.26
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate with MolForge

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Related Compounds

methyl 2-[[7-methoxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbonyl]amino]-3-phenylpropanoate
CID 18765471
(2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 91381150
methyl (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 10297343
N-[(2R)-butan-2-yl]-5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 10111044
methyl (2S)-2-[[2,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbonyl]amino]-3-phenylpropanoate
CID 10223487
7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 142080607
7-methoxy-2-methyl-1-(2-pyrrolidin-1-ylethyl)-N-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 163684338
6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196288
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196301
7-methoxy-N-(2-methoxy-4-methyl-3-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765431

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate?
The IUPAC name of methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate (CID 20604575) is methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate?
The canonical SMILES for methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate is COC(=O)C(Cc1cscn1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12.
What is the InChIKey of methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate?
The InChIKey is DASJZLRMPZWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16-21(23(29)26-19(24(30)32-3)13-17-14-34-15-25-17)18-5-4-6-20(31-2)22(18)28(16)8-7-27-9-11-33-12-10-27/h4-6,14-15,19H,7-13H2,1-3H3,(H,26,29).
What are the key properties of methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate?
methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate has a molecular weight of 486.59 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-(1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 20604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).