2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine

C22H28FN3O2 — CID 18001623

IUPAC2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3cc(F)c(OC)cc3C)ccnc2n1C(CC)CCOC
InChIInChI=1S/C22H28FN3O2/c1-6-15(9-11-27-4)26-20(7-2)25-21-16(8-10-24-22(21)26)17-13-18(23)19(28-5)12-14(17)3/h8,10,12-13,15H,6-7,9,11H2,1-5H3
InChIKeyGGQRCQIIPVRFFC-UHFFFAOYSA-N
MW385.48 g/mol
LogP5.10
Rot. Bonds8

About 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine

2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 18001623) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
PubChem CID18001623
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3cc(F)c(OC)cc3C)ccnc2n1C(CC)CCOC
InChIInChI=1S/C22H28FN3O2/c1-6-15(9-11-27-4)26-20(7-2)25-21-16(8-10-24-22(21)26)17-13-18(23)19(28-5)12-14(17)3/h8,10,12-13,15H,6-7,9,11H2,1-5H3
InChIKeyGGQRCQIIPVRFFC-UHFFFAOYSA-N
XLogP5.10
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

2-ethyl-4-(5-fluoro-4-methoxy-2-methylphenyl)-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001399
7-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-3-(1-methoxybutan-2-yl)imidazo[4,5-b]pyridine
CID 18001347
2-ethyl-4-(5-fluoro-4-methoxy-2-methylphenyl)-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001485
4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001639
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
CID 18001490
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001531
2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 79293024
4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001600
4-(2,4-dichlorophenyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001464
2-methoxy-3-(1-methoxybutan-2-yl)-7-(6-methoxy-2-methyl-3-pyridinyl)imidazo[4,5-b]pyridine
CID 18001588
4-(2,6-dimethyl-3-pyridinyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001474
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
CID 79293815

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine (CID 18001623) is 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine is CCc1nc2c(-c3cc(F)c(OC)cc3C)ccnc2n1C(CC)CCOC.
What is the InChIKey of 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is GGQRCQIIPVRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-6-15(9-11-27-4)26-20(7-2)25-21-16(8-10-24-22(21)26)17-13-18(23)19(28-5)12-14(17)3/h8,10,12-13,15H,6-7,9,11H2,1-5H3.
What are the key properties of 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine?
2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 385.48 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 18001623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).