7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine

C20H19ClF3N3O2 — CID 10224286

IUPAC7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine
SMILESCCC(C1CC1)n1c(OC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C20H19ClF3N3O2/c1-3-16(11-4-5-11)27-18-17(26-19(27)28-2)14(8-9-25-18)13-7-6-12(10-15(13)21)29-20(22,23)24/h6-11,16H,3-5H2,1-2H3
InChIKeyNSCKZPQGJPZOFH-UHFFFAOYSA-N
MW425.84 g/mol
LogP6.02
Rot. Bonds6

About 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine

7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine (PubChem CID 10224286) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine
PubChem CID10224286
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine
SMILESCCC(C1CC1)n1c(OC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C20H19ClF3N3O2/c1-3-16(11-4-5-11)27-18-17(26-19(27)28-2)14(8-9-25-18)13-7-6-12(10-15(13)21)29-20(22,23)24/h6-11,16H,3-5H2,1-2H3
InChIKeyNSCKZPQGJPZOFH-UHFFFAOYSA-N
XLogP6.02
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.84
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine (CID 10224286) is 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine is CCC(C1CC1)n1c(OC)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21.
What is the InChIKey of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine?
The InChIKey is NSCKZPQGJPZOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c1-3-16(11-4-5-11)27-18-17(26-19(27)28-2)14(8-9-25-18)13-7-6-12(10-15(13)21)29-20(22,23)24/h6-11,16H,3-5H2,1-2H3.
What are the key properties of 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine?
7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine has a molecular weight of 425.84 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 10224286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).