(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine

C16H13ClF3N3S — CID 168899219

IUPAC(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine
SMILESCN(Sc1ccn2ccnc2c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H13ClF3N3S/c1-22(24-13-6-8-23-9-7-21-14(23)10-13)15(16(18,19)20)11-2-4-12(17)5-3-11/h2-10,15H,1H3/t15-/m1/s1
InChIKeyGACYUYLYINDXHP-OAHLLOKOSA-N
MW371.82 g/mol
LogP5.23
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine (PubChem CID 168899219) has the molecular formula C16H13ClF3N3S and a molecular weight of 371.82 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine
PubChem CID168899219
Molecular FormulaC16H13ClF3N3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine
SMILESCN(Sc1ccn2ccnc2c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C16H13ClF3N3S/c1-22(24-13-6-8-23-9-7-21-14(23)10-13)15(16(18,19)20)11-2-4-12(17)5-3-11/h2-10,15H,1H3/t15-/m1/s1
InChIKeyGACYUYLYINDXHP-OAHLLOKOSA-N
XLogP5.23
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine (CID 168899219) is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine is CN(Sc1ccn2ccnc2c1)[C@H](c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine?
The InChIKey is GACYUYLYINDXHP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13ClF3N3S/c1-22(24-13-6-8-23-9-7-21-14(23)10-13)15(16(18,19)20)11-2-4-12(17)5-3-11/h2-10,15H,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine?
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine has a molecular weight of 371.82 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-N-imidazo[1,2-a]pyridin-7-ylsulfanyl-N-methylethanamine is sourced from PubChem (CID 168899219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).