4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

C23H22ClFN4 — CID 162466516

IUPAC4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](c1nc2ncc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H22ClFN4/c1-13(22-28-21-10-16(24)12-27-23(21)29-22)14-2-4-15(5-3-14)18-8-9-26-20-7-6-17(25)11-19(18)20/h6-15H,2-5H2,1H3,(H,27,28,29)/t13-,14?,15?/m1/s1
InChIKeyZUFGKTDKACBZGU-WLYUNCDWSA-N
MW408.91 g/mol
LogP6.38
Rot. Bonds3

About 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 162466516) has the molecular formula C23H22ClFN4 and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
PubChem CID162466516
Molecular FormulaC23H22ClFN4
Molecular Weight408.91 g/mol
Exact Mass408.15
IUPAC Name4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](c1nc2ncc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H22ClFN4/c1-13(22-28-21-10-16(24)12-27-23(21)29-22)14-2-4-15(5-3-14)18-8-9-26-20-7-6-17(25)11-19(18)20/h6-15H,2-5H2,1H3,(H,27,28,29)/t13-,14?,15?/m1/s1
InChIKeyZUFGKTDKACBZGU-WLYUNCDWSA-N
XLogP6.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (CID 162466516) is 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is C[C@@H](c1nc2ncc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is ZUFGKTDKACBZGU-WLYUNCDWSA-N. The full InChI is InChI=1S/C23H22ClFN4/c1-13(22-28-21-10-16(24)12-27-23(21)29-22)14-2-4-15(5-3-14)18-8-9-26-20-7-6-17(25)11-19(18)20/h6-15H,2-5H2,1H3,(H,27,28,29)/t13-,14?,15?/m1/s1.
What are the key properties of 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 408.91 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 162466516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).