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

C24H25FN6O — CID 69350390

IUPAC4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3cn(CCN4CCOCC4)cn3)c2)n1
InChIInChI=1S/C24H25FN6O/c1-17-3-2-4-22(28-17)24-20(14-27-29-24)18-5-6-21(25)19(13-18)23-15-31(16-26-23)8-7-30-9-11-32-12-10-30/h2-6,13-16H,7-12H2,1H3,(H,27,29)
InChIKeyQFCAMACNZLCVBN-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.78
Rot. Bonds6

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

4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine (PubChem CID 69350390) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine
PubChem CID69350390
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3cn(CCN4CCOCC4)cn3)c2)n1
InChIInChI=1S/C24H25FN6O/c1-17-3-2-4-22(28-17)24-20(14-27-29-24)18-5-6-21(25)19(13-18)23-15-31(16-26-23)8-7-30-9-11-32-12-10-30/h2-6,13-16H,7-12H2,1H3,(H,27,29)
InChIKeyQFCAMACNZLCVBN-UHFFFAOYSA-N
XLogP3.78
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine (CID 69350390) is 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3cn(CCN4CCOCC4)cn3)c2)n1.
What is the InChIKey of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine?
The InChIKey is QFCAMACNZLCVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-17-3-2-4-22(28-17)24-20(14-27-29-24)18-5-6-21(25)19(13-18)23-15-31(16-26-23)8-7-30-9-11-32-12-10-30/h2-6,13-16H,7-12H2,1H3,(H,27,29).
What are the key properties of 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine?
4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine has a molecular weight of 432.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]imidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 69350390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).