4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine

C21H25ClFN3O — CID 18001639

IUPAC4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3cc(F)c(C)cc3Cl)nccc2n1C(CC)CCOC
InChIInChI=1S/C21H25ClFN3O/c1-5-14(8-10-27-4)26-18-7-9-24-20(21(18)25-19(26)6-2)15-12-17(23)13(3)11-16(15)22/h7,9,11-12,14H,5-6,8,10H2,1-4H3
InChIKeyQBCLULXQZDXLSS-UHFFFAOYSA-N
MW389.90 g/mol
LogP5.75
Rot. Bonds7

About 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine

4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine (PubChem CID 18001639) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
PubChem CID18001639
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC Name4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCc1nc2c(-c3cc(F)c(C)cc3Cl)nccc2n1C(CC)CCOC
InChIInChI=1S/C21H25ClFN3O/c1-5-14(8-10-27-4)26-18-7-9-24-20(21(18)25-19(26)6-2)15-12-17(23)13(3)11-16(15)22/h7,9,11-12,14H,5-6,8,10H2,1-4H3
InChIKeyQBCLULXQZDXLSS-UHFFFAOYSA-N
XLogP5.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.90
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001600
2-ethyl-4-(5-fluoro-4-methoxy-2-methylphenyl)-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001485
4-(2,4-dichlorophenyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001464
2-ethyl-7-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
CID 18001623
4-(2,6-dimethyl-3-pyridinyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001474
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
CID 18001490
5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one
CID 10385822
2-ethyl-4-[4-methoxy-2-(trifluoromethyl)phenyl]-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001537
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-pentan-3-ylimidazo[4,5-c]pyridine
CID 18001531
1-(1-cyclopropylpropyl)-4-(2,6-dimethoxy-3-pyridinyl)-2-ethylimidazo[4,5-c]pyridine
CID 18001340
1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 10385581

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine (CID 18001639) is 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine is CCc1nc2c(-c3cc(F)c(C)cc3Cl)nccc2n1C(CC)CCOC.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is QBCLULXQZDXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c1-5-14(8-10-27-4)26-18-7-9-24-20(21(18)25-19(26)6-2)15-12-17(23)13(3)11-16(15)22/h7,9,11-12,14H,5-6,8,10H2,1-4H3.
What are the key properties of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine?
4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 389.90 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 18001639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).