7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine

C21H22ClF2N3O — CID 10222981

IUPAC7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(OC(F)F)cc3Cl)ccnc2n1C(C)C1CCC1
InChIInChI=1S/C21H22ClF2N3O/c1-3-18-26-19-16(15-8-7-14(11-17(15)22)28-21(23)24)9-10-25-20(19)27(18)12(2)13-5-4-6-13/h7-13,21H,3-6H2,1-2H3
InChIKeyNOCSZFMUSSDTEB-UHFFFAOYSA-N
MW405.88 g/mol
LogP6.28
Rot. Bonds6

About 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine

7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine (PubChem CID 10222981) has the molecular formula C21H22ClF2N3O and a molecular weight of 405.88 g/mol. Its IUPAC name is 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine
PubChem CID10222981
Molecular FormulaC21H22ClF2N3O
Molecular Weight405.88 g/mol
Exact Mass405.14
IUPAC Name7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(OC(F)F)cc3Cl)ccnc2n1C(C)C1CCC1
InChIInChI=1S/C21H22ClF2N3O/c1-3-18-26-19-16(15-8-7-14(11-17(15)22)28-21(23)24)9-10-25-20(19)27(18)12(2)13-5-4-6-13/h7-13,21H,3-6H2,1-2H3
InChIKeyNOCSZFMUSSDTEB-UHFFFAOYSA-N
XLogP6.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine (CID 10222981) is 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine is CCc1nc2c(-c3ccc(OC(F)F)cc3Cl)ccnc2n1C(C)C1CCC1.
What is the InChIKey of 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine?
The InChIKey is NOCSZFMUSSDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF2N3O/c1-3-18-26-19-16(15-8-7-14(11-17(15)22)28-21(23)24)9-10-25-20(19)27(18)12(2)13-5-4-6-13/h7-13,21H,3-6H2,1-2H3.
What are the key properties of 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine?
7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine has a molecular weight of 405.88 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-4-(difluoromethoxy)phenyl]-3-(1-cyclobutylethyl)-2-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 10222981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).