2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine

C20H18ClF4N3 — CID 59578915

IUPAC2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2cccc(C(F)(F)F)n2c1NC1CCCCC1
InChIInChI=1S/C20H18ClF4N3/c21-13-8-4-9-14(22)17(13)18-19(26-12-6-2-1-3-7-12)28-15(20(23,24)25)10-5-11-16(28)27-18/h4-5,8-12,26H,1-3,6-7H2
InChIKeyFSYYFZHIIMPEBU-UHFFFAOYSA-N
MW411.83 g/mol
LogP6.56
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 59578915) has the molecular formula C20H18ClF4N3 and a molecular weight of 411.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID59578915
Molecular FormulaC20H18ClF4N3
Molecular Weight411.83 g/mol
Exact Mass411.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2cccc(C(F)(F)F)n2c1NC1CCCCC1
InChIInChI=1S/C20H18ClF4N3/c21-13-8-4-9-14(22)17(13)18-19(26-12-6-2-1-3-7-12)28-15(20(23,24)25)10-5-11-16(28)27-18/h4-5,8-12,26H,1-3,6-7H2
InChIKeyFSYYFZHIIMPEBU-UHFFFAOYSA-N
XLogP6.56
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.83
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine (CID 59578915) is 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine is Fc1cccc(Cl)c1-c1nc2cccc(C(F)(F)F)n2c1NC1CCCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is FSYYFZHIIMPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N3/c21-13-8-4-9-14(22)17(13)18-19(26-12-6-2-1-3-7-12)28-15(20(23,24)25)10-5-11-16(28)27-18/h4-5,8-12,26H,1-3,6-7H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 411.83 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-cyclohexyl-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 59578915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).