4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine

C24H25FN6O — CID 69351466

IUPAC4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3cnc(CCN4CCOCC4)[nH]3)c2)n1
InChIInChI=1S/C24H25FN6O/c1-16-3-2-4-21(28-16)24-19(14-27-30-24)17-5-6-20(25)18(13-17)22-15-26-23(29-22)7-8-31-9-11-32-12-10-31/h2-6,13-15H,7-12H2,1H3,(H,26,29)(H,27,30)
InChIKeyJDTZKGNCFMKDDW-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.85
Rot. Bonds6

About 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine

4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine (PubChem CID 69351466) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine
PubChem CID69351466
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3cnc(CCN4CCOCC4)[nH]3)c2)n1
InChIInChI=1S/C24H25FN6O/c1-16-3-2-4-21(28-16)24-19(14-27-30-24)17-5-6-20(25)18(13-17)22-15-26-23(29-22)7-8-31-9-11-32-12-10-31/h2-6,13-15H,7-12H2,1H3,(H,26,29)(H,27,30)
InChIKeyJDTZKGNCFMKDDW-UHFFFAOYSA-N
XLogP3.85
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine (CID 69351466) is 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3cnc(CCN4CCOCC4)[nH]3)c2)n1.
What is the InChIKey of 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine?
The InChIKey is JDTZKGNCFMKDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-3-2-4-21(28-16)24-19(14-27-30-24)17-5-6-20(25)18(13-17)22-15-26-23(29-22)7-8-31-9-11-32-12-10-31/h2-6,13-15H,7-12H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine?
4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine has a molecular weight of 432.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-imidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 69351466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).