[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

C20H21N3O3S — CID 7098199

IUPAC[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2ccncc2)cc2sccc21
InChIInChI=1S/C20H21N3O3S/c1-23-15-8-11-27-17(15)12-16(23)20(25)26-18(13-6-9-21-10-7-13)19(24)22-14-4-2-3-5-14/h6-12,14,18H,2-5H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyNERJLFXZYXRXSA-SFHVURJKSA-N
MW383.47 g/mol
LogP3.59
Rot. Bonds5

About [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate

[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 7098199) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID7098199
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCn1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2ccncc2)cc2sccc21
InChIInChI=1S/C20H21N3O3S/c1-23-15-8-11-27-17(15)12-16(23)20(25)26-18(13-6-9-21-10-7-13)19(24)22-14-4-2-3-5-14/h6-12,14,18H,2-5H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyNERJLFXZYXRXSA-SFHVURJKSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435820
[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl] 4-propan-2-ylthieno[3,2-b]pyrrole-5-carboxylate
CID 3228571
[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687837
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435838
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 3228511
N-cyclopropyl-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 20883468
N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 5041446
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435832
[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
CID 3224124
4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946
N-cyclopentyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 53298919

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate (CID 7098199) is [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is Cn1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2ccncc2)cc2sccc21.
What is the InChIKey of [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NERJLFXZYXRXSA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23-15-8-11-27-17(15)12-16(23)20(25)26-18(13-6-9-21-10-7-13)19(24)22-14-4-2-3-5-14/h6-12,14,18H,2-5H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate?
[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 7098199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).