methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate

C26H27ClN4O3 — CID 101339440

IUPACmethyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate
SMILESCOC(=O)c1ccc(-n2cc(C3=CCN(CCN4CCNC4=O)CC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C26H27ClN4O3/c1-34-25(32)19-2-5-21(6-3-19)31-17-23(22-16-20(27)4-7-24(22)31)18-8-11-29(12-9-18)14-15-30-13-10-28-26(30)33/h2-8,16-17H,9-15H2,1H3,(H,28,33)
InChIKeyGXNYFYHYBCSWGV-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.18
Rot. Bonds6

About methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate

methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate (PubChem CID 101339440) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate
PubChem CID101339440
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Namemethyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate
SMILESCOC(=O)c1ccc(-n2cc(C3=CCN(CCN4CCNC4=O)CC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C26H27ClN4O3/c1-34-25(32)19-2-5-21(6-3-19)31-17-23(22-16-20(27)4-7-24(22)31)18-8-11-29(12-9-18)14-15-30-13-10-28-26(30)33/h2-8,16-17H,9-15H2,1H3,(H,28,33)
InChIKeyGXNYFYHYBCSWGV-UHFFFAOYSA-N
XLogP4.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate with MolForge

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Related Compounds

1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 18177244
1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 57290100
1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 19753558
5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 15648963
methyl 4-[(5-oxo-1,4-diazepan-1-yl)methyl]benzoate
CID 60711017
9-bromo-4-[2-[4-(6-chloro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 44535469
methyl 4-[[4-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate
CID 118148265
1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)-3-[1-[2-(2H-tetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indole
CID 18177219
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
4-(3-amino-5-chloroindol-1-yl)benzoic acid
CID 71094157
6-chloro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087747
[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(3-heptoxyphenyl)methanone
CID 151304842

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate?
The IUPAC name of methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate (CID 101339440) is methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate.
What is the SMILES notation for methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate?
The canonical SMILES for methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate is COC(=O)c1ccc(-n2cc(C3=CCN(CCN4CCNC4=O)CC3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate?
The InChIKey is GXNYFYHYBCSWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-34-25(32)19-2-5-21(6-3-19)31-17-23(22-16-20(27)4-7-24(22)31)18-8-11-29(12-9-18)14-15-30-13-10-28-26(30)33/h2-8,16-17H,9-15H2,1H3,(H,28,33).
What are the key properties of methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate?
methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate has a molecular weight of 478.98 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate is sourced from PubChem (CID 101339440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).