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(2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine

C22H18Cl2FN5O — CID 139365260

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine
SMILESC[C@H]1[C@H](c2cccc(Cl)c2)OCCN1c1cncc(-c2cnc3cc(F)c(Cl)cn23)n1
InChIInChI=1S/C22H18Cl2FN5O/c1-13-22(14-3-2-4-15(23)7-14)31-6-5-29(13)21-11-26-9-18(28-21)19-10-27-20-8-17(25)16(24)12-30(19)20/h2-4,7-13,22H,5-6H2,1H3/t13-,22+/m0/s1
InChIKeyPBHXAPHJHGZSDV-WHEQGISXSA-N
MW458.32 g/mol
LogP5.20
Rot. Bonds3

About (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine

(2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine (PubChem CID 139365260) has the molecular formula C22H18Cl2FN5O and a molecular weight of 458.32 g/mol. Its IUPAC name is (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine.

Molecular Properties

Compound Name(2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine
PubChem CID139365260
Molecular FormulaC22H18Cl2FN5O
Molecular Weight458.32 g/mol
Exact Mass457.09
IUPAC Name(2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine
SMILESC[C@H]1[C@H](c2cccc(Cl)c2)OCCN1c1cncc(-c2cnc3cc(F)c(Cl)cn23)n1
InChIInChI=1S/C22H18Cl2FN5O/c1-13-22(14-3-2-4-15(23)7-14)31-6-5-29(13)21-11-26-9-18(28-21)19-10-27-20-8-17(25)16(24)12-30(19)20/h2-4,7-13,22H,5-6H2,1H3/t13-,22+/m0/s1
InChIKeyPBHXAPHJHGZSDV-WHEQGISXSA-N
XLogP5.20
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.32
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine?
The IUPAC name of (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine (CID 139365260) is (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine.
What is the SMILES notation for (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine?
The canonical SMILES for (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine is C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1c1cncc(-c2cnc3cc(F)c(Cl)cn23)n1.
What is the InChIKey of (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine?
The InChIKey is PBHXAPHJHGZSDV-WHEQGISXSA-N. The full InChI is InChI=1S/C22H18Cl2FN5O/c1-13-22(14-3-2-4-15(23)7-14)31-6-5-29(13)21-11-26-9-18(28-21)19-10-27-20-8-17(25)16(24)12-30(19)20/h2-4,7-13,22H,5-6H2,1H3/t13-,22+/m0/s1.
What are the key properties of (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine?
(2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine has a molecular weight of 458.32 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[6-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-(3-chlorophenyl)-3-methylmorpholine is sourced from PubChem (CID 139365260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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