2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine

C43H49Cl3N6 — CID 161071277

IUPAC2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine
SMILESC.C[C@@H](C[C@@H]1CCN(c2nccnc2Cl)C1)c1cccc2ccccc12.C[C@@H](C[C@@H]1CCNC1)c1cccc2ccccc12.Clc1nccnc1Cl
InChIInChI=1S/C21H22ClN3.C17H21N.C4H2Cl2N2.CH4/c1-15(18-8-4-6-17-5-2-3-7-19(17)18)13-16-9-12-25(14-16)21-20(22)23-10-11-24-21;1-13(11-14-9-10-18-12-14)16-8-4-6-15-5-2-3-7-17(15)16;5-3-4(6)8-2-1-7-3;/h2-8,10-11,15-16H,9,12-14H2,1H3;2-8,13-14,18H,9-12H2,1H3;1-2H;1H4/t15-,16-;13-,14-;;/m00../s1
InChIKeyUEROTEBRNMHLEC-JODSKNCGSA-N
MW756.27 g/mol
LogP11.67
Rot. Bonds7

About 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine

2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine (PubChem CID 161071277) has the molecular formula C43H49Cl3N6 and a molecular weight of 756.27 g/mol. Its IUPAC name is 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine.

Molecular Properties

Compound Name2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine
PubChem CID161071277
Molecular FormulaC43H49Cl3N6
Molecular Weight756.27 g/mol
Exact Mass754.31
IUPAC Name2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine
SMILESC.C[C@@H](C[C@@H]1CCN(c2nccnc2Cl)C1)c1cccc2ccccc12.C[C@@H](C[C@@H]1CCNC1)c1cccc2ccccc12.Clc1nccnc1Cl
InChIInChI=1S/C21H22ClN3.C17H21N.C4H2Cl2N2.CH4/c1-15(18-8-4-6-17-5-2-3-7-19(17)18)13-16-9-12-25(14-16)21-20(22)23-10-11-24-21;1-13(11-14-9-10-18-12-14)16-8-4-6-15-5-2-3-7-17(15)16;5-3-4(6)8-2-1-7-3;/h2-8,10-11,15-16H,9,12-14H2,1H3;2-8,13-14,18H,9-12H2,1H3;1-2H;1H4/t15-,16-;13-,14-;;/m00../s1
InChIKeyUEROTEBRNMHLEC-JODSKNCGSA-N
XLogP11.67
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.27
LogP ≤ 511.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine with MolForge

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Related Compounds

2-bromopyrimidine;methane;(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine;2-[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrimidine
CID 161014691
(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride
CID 158985492
2-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908767
5-[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]-2-trityltetrazole
CID 157304467
bis(carbon dioxide);(3S)-1-(4-methylphenyl)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine;(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]-1-(4-propylphenyl)pyrrolidine;hydrochloride
CID 159846637
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
1-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 104977385
benzyl N-[[1-(7-fluoroisoquinolin-1-yl)pyrrolidin-3-yl]methyl]carbamate;benzyl N-(pyrrolidin-3-ylmethyl)carbamate;1-chloro-7-fluoroisoquinoline;hydrochloride
CID 159813908
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine?
The IUPAC name of 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine (CID 161071277) is 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine.
What is the SMILES notation for 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine?
The canonical SMILES for 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine is C.C[C@@H](C[C@@H]1CCN(c2nccnc2Cl)C1)c1cccc2ccccc12.C[C@@H](C[C@@H]1CCNC1)c1cccc2ccccc12.Clc1nccnc1Cl.
What is the InChIKey of 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine?
The InChIKey is UEROTEBRNMHLEC-JODSKNCGSA-N. The full InChI is InChI=1S/C21H22ClN3.C17H21N.C4H2Cl2N2.CH4/c1-15(18-8-4-6-17-5-2-3-7-19(17)18)13-16-9-12-25(14-16)21-20(22)23-10-11-24-21;1-13(11-14-9-10-18-12-14)16-8-4-6-15-5-2-3-7-17(15)16;5-3-4(6)8-2-1-7-3;/h2-8,10-11,15-16H,9,12-14H2,1H3;2-8,13-14,18H,9-12H2,1H3;1-2H;1H4/t15-,16-;13-,14-;;/m00../s1.
What are the key properties of 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine?
2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine has a molecular weight of 756.27 g/mol, XLogP of 11.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine is sourced from PubChem (CID 161071277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).