7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine

C20H21ClF3N3O3 — CID 10275248

IUPAC7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCC(CCOC)n1c(OC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C20H21ClF3N3O3/c1-4-12(8-10-28-2)27-18-17(26-19(27)29-3)15(7-9-25-18)14-6-5-13(11-16(14)21)30-20(22,23)24/h5-7,9,11-12H,4,8,10H2,1-3H3
InChIKeyOKEVPFNSMAXPBX-UHFFFAOYSA-N
MW443.85 g/mol
LogP5.65
Rot. Bonds8

About 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine

7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 10275248) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
PubChem CID10275248
Molecular FormulaC20H21ClF3N3O3
Molecular Weight443.85 g/mol
Exact Mass443.12
IUPAC Name7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCC(CCOC)n1c(OC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C20H21ClF3N3O3/c1-4-12(8-10-28-2)27-18-17(26-19(27)29-3)15(7-9-25-18)14-6-5-13(11-16(14)21)30-20(22,23)24/h5-7,9,11-12H,4,8,10H2,1-3H3
InChIKeyOKEVPFNSMAXPBX-UHFFFAOYSA-N
XLogP5.65
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.85
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine (CID 10275248) is 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine is CCC(CCOC)n1c(OC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21.
What is the InChIKey of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is OKEVPFNSMAXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c1-4-12(8-10-28-2)27-18-17(26-19(27)29-3)15(7-9-25-18)14-6-5-13(11-16(14)21)30-20(22,23)24/h5-7,9,11-12H,4,8,10H2,1-3H3.
What are the key properties of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 443.85 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methoxy-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 10275248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).