2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

C19H18ClF3N4O3 — CID 90644770

IUPAC2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESNc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25)
InChIKeyQAKLYMPRDNHSCY-UHFFFAOYSA-N
MW442.83 g/mol
LogP3.59
Rot. Bonds5

About 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 90644770) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.83 g/mol. Its IUPAC name is 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID90644770
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.83 g/mol
Exact Mass442.10
IUPAC Name2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESNc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25)
InChIKeyQAKLYMPRDNHSCY-UHFFFAOYSA-N
XLogP3.59
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (CID 90644770) is 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QAKLYMPRDNHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c20-13-7-10(19(21,22)23)1-2-12(13)15(28)8-27-17-14(25-18(27)24)3-4-16(26-17)30-11-5-6-29-9-11/h1-4,7,11,15,28H,5-6,8-9H2,(H2,24,25).
What are the key properties of 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 442.83 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(oxolan-3-yloxy)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 90644770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).