[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol

C21H19Cl2N3O — CID 71199867

IUPAC[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H19Cl2N3O/c22-16-7-3-14(4-8-16)20-21(15-5-9-17(23)10-6-15)25-19(12-24-20)26-11-1-2-18(26)13-27/h3-10,12,18,27H,1-2,11,13H2/t18-/m0/s1
InChIKeyPRODIZYBJPTHAE-SFHVURJKSA-N
MW400.31 g/mol
LogP5.08
Rot. Bonds4

About [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 71199867) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID71199867
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H19Cl2N3O/c22-16-7-3-14(4-8-16)20-21(15-5-9-17(23)10-6-15)25-19(12-24-20)26-11-1-2-18(26)13-27/h3-10,12,18,27H,1-2,11,13H2/t18-/m0/s1
InChIKeyPRODIZYBJPTHAE-SFHVURJKSA-N
XLogP5.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 143313007
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
2-[[1-(5,6-diphenylpyrazin-2-yl)pyrrolidin-2-yl]methoxy]-2-methylpropanoic acid
CID 175960687
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-dipropylpiperidin-4-amine
CID 143313735
1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 143313402
[1-(6-aminopyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 79033972
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[1-(5-iodo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 68796392
[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 79727661
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
[(2S)-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-2-yl]methanol;dihydrochloride
CID 122509335

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol (CID 71199867) is [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is PRODIZYBJPTHAE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c22-16-7-3-14(4-8-16)20-21(15-5-9-17(23)10-6-15)25-19(12-24-20)26-11-1-2-18(26)13-27/h3-10,12,18,27H,1-2,11,13H2/t18-/m0/s1.
What are the key properties of [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 400.31 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71199867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).