2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol

C16H14Cl2F3N5O — CID 90644771

IUPAC2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2F3N5O/c17-8-1-2-9(10(18)5-8)12(27)6-26-14-11(24-15(26)22)3-4-13(25-14)23-7-16(19,20)21/h1-5,12,27H,6-7H2,(H2,22,24)(H,23,25)
InChIKeyLMUKORAVEXWMPG-UHFFFAOYSA-N
MW420.22 g/mol
LogP4.03
Rot. Bonds5

About 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol

2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90644771) has the molecular formula C16H14Cl2F3N5O and a molecular weight of 420.22 g/mol. Its IUPAC name is 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol
PubChem CID90644771
Molecular FormulaC16H14Cl2F3N5O
Molecular Weight420.22 g/mol
Exact Mass419.05
IUPAC Name2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol
SMILESNc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2F3N5O/c17-8-1-2-9(10(18)5-8)12(27)6-26-14-11(24-15(26)22)3-4-13(25-14)23-7-16(19,20)21/h1-5,12,27H,6-7H2,(H2,22,24)(H,23,25)
InChIKeyLMUKORAVEXWMPG-UHFFFAOYSA-N
XLogP4.03
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol (CID 90644771) is 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol is Nc1nc2ccc(NCC(F)(F)F)nc2n1CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is LMUKORAVEXWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3N5O/c17-8-1-2-9(10(18)5-8)12(27)6-26-14-11(24-15(26)22)3-4-13(25-14)23-7-16(19,20)21/h1-5,12,27H,6-7H2,(H2,22,24)(H,23,25).
What are the key properties of 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol?
2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 420.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90644771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).