1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol

C18H19F3N4O — CID 86693628

IUPAC1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol
SMILESCCc1cc(C(O)C(F)(F)F)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C18H19F3N4O/c1-4-11-7-12(17(26)18(19,20)21)5-6-14(11)25(3)16-8-15-13(9-22-16)23-10-24(15)2/h5-10,17,26H,4H2,1-3H3
InChIKeyDHBDAFWCXFHABP-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.89
Rot. Bonds4

About 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol

1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol (PubChem CID 86693628) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol
PubChem CID86693628
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol
SMILESCCc1cc(C(O)C(F)(F)F)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C18H19F3N4O/c1-4-11-7-12(17(26)18(19,20)21)5-6-14(11)25(3)16-8-15-13(9-22-16)23-10-24(15)2/h5-10,17,26H,4H2,1-3H3
InChIKeyDHBDAFWCXFHABP-UHFFFAOYSA-N
XLogP3.89
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol (CID 86693628) is 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol is CCc1cc(C(O)C(F)(F)F)ccc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
The InChIKey is DHBDAFWCXFHABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-4-11-7-12(17(26)18(19,20)21)5-6-14(11)25(3)16-8-15-13(9-22-16)23-10-24(15)2/h5-10,17,26H,4H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol?
1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol has a molecular weight of 364.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 86693628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).