ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate

C25H25N5O3S — CID 41105105

IUPACethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C25H25N5O3S/c1-2-33-25(32)23-18(15-20(34-23)17-9-4-3-5-10-17)26-22(31)16-29-13-8-11-19(29)24-28-27-21-12-6-7-14-30(21)24/h3-7,9-10,12,14-15,19H,2,8,11,13,16H2,1H3,(H,26,31)/t19-/m1/s1
InChIKeyOWWFTNALZBEEGM-LJQANCHMSA-N
MW475.57 g/mol
LogP4.41
Rot. Bonds7

About ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate

ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate (PubChem CID 41105105) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
PubChem CID41105105
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Nameethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C25H25N5O3S/c1-2-33-25(32)23-18(15-20(34-23)17-9-4-3-5-10-17)26-22(31)16-29-13-8-11-19(29)24-28-27-21-12-6-7-14-30(21)24/h3-7,9-10,12,14-15,19H,2,8,11,13,16H2,1H3,(H,26,31)/t19-/m1/s1
InChIKeyOWWFTNALZBEEGM-LJQANCHMSA-N
XLogP4.41
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

CID 1189921
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CID 1281408
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CID 145978300
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CID 122604085
CID 122604085
CID 2495978
CID 2495978
CID 1536919
CID 1536919
CID 2320258
CID 2320258
CID 2459142
CID 2459142
CID 44117836
CID 44117836
CID 24945276
CID 24945276
CID 155280512
CID 155280512
CID 1280498
CID 1280498

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate (CID 41105105) is ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@@H]1c1nnc2ccccn12.
What is the InChIKey of ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is OWWFTNALZBEEGM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-2-33-25(32)23-18(15-20(34-23)17-9-4-3-5-10-17)26-22(31)16-29-13-8-11-19(29)24-28-27-21-12-6-7-14-30(21)24/h3-7,9-10,12,14-15,19H,2,8,11,13,16H2,1H3,(H,26,31)/t19-/m1/s1.
What are the key properties of ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate?
ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-3-[[2-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 41105105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).