[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

C20H21BrClN3O4 — CID 153278525

IUPAC[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
SMILESCOc1nc(-c2cccc(Br)c2Cl)ccc1[C@@H](C)OC(=O)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H21BrClN3O4/c1-11(29-20(27)23-10-12-6-9-17(26)24-12)13-7-8-16(25-19(13)28-2)14-4-3-5-15(21)18(14)22/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,23,27)(H,24,26)/t11-,12+/m1/s1
InChIKeyKPFLJZRSHNEJFB-NEPJUHHUSA-N
MW482.76 g/mol
LogP4.24
Rot. Bonds6

About [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (PubChem CID 153278525) has the molecular formula C20H21BrClN3O4 and a molecular weight of 482.76 g/mol. Its IUPAC name is [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
PubChem CID153278525
Molecular FormulaC20H21BrClN3O4
Molecular Weight482.76 g/mol
Exact Mass481.04
IUPAC Name[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
SMILESCOc1nc(-c2cccc(Br)c2Cl)ccc1[C@@H](C)OC(=O)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H21BrClN3O4/c1-11(29-20(27)23-10-12-6-9-17(26)24-12)13-7-8-16(25-19(13)28-2)14-4-3-5-15(21)18(14)22/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,23,27)(H,24,26)/t11-,12+/m1/s1
InChIKeyKPFLJZRSHNEJFB-NEPJUHHUSA-N
XLogP4.24
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.76
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
CID 156822332
[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl-[(5-oxopyrrolidin-2-yl)methyl]carbamic acid
CID 166692660
(5R)-5-[[[6-[3-[2-bromo-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206612
(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206736
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206915
[5-[2-chloro-3-[2-chloro-3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 139451488
(5R)-5-[(3S)-3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(1R)-1-[[(1R)-3-oxocyclopentyl]methylamino]ethyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]butyl]pyrrolidin-2-one
CID 158951965
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclopentylmethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232090
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[4-fluoro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-4-fluoro-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 166516233
6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one
CID 146207052
2-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]-N-methylacetamide
CID 139430386
[6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
CID 166693200

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (CID 153278525) is [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is COc1nc(-c2cccc(Br)c2Cl)ccc1[C@@H](C)OC(=O)NC[C@@H]1CCC(=O)N1.
What is the InChIKey of [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
The InChIKey is KPFLJZRSHNEJFB-NEPJUHHUSA-N. The full InChI is InChI=1S/C20H21BrClN3O4/c1-11(29-20(27)23-10-12-6-9-17(26)24-12)13-7-8-16(25-19(13)28-2)14-4-3-5-15(21)18(14)22/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,23,27)(H,24,26)/t11-,12+/m1/s1.
What are the key properties of [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate has a molecular weight of 482.76 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 153278525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).