4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine

C21H24FN5O — CID 10523894

IUPAC4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1
InChIInChI=1S/C21H24FN5O/c22-18-4-2-16(3-5-18)20-21(17-6-7-24-19(23)14-17)27(15-25-20)9-1-8-26-10-12-28-13-11-26/h2-7,14-15H,1,8-13H2,(H2,23,24)
InChIKeyRAVFPWNPAGEFFU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.06
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine

4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 10523894) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine
PubChem CID10523894
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1
InChIInChI=1S/C21H24FN5O/c22-18-4-2-16(3-5-18)20-21(17-6-7-24-19(23)14-17)27(15-25-20)9-1-8-26-10-12-28-13-11-26/h2-7,14-15H,1,8-13H2,(H2,23,24)
InChIKeyRAVFPWNPAGEFFU-UHFFFAOYSA-N
XLogP3.06
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine (CID 10523894) is 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)ccn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is RAVFPWNPAGEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-18-4-2-16(3-5-18)20-21(17-6-7-24-19(23)14-17)27(15-25-20)9-1-8-26-10-12-28-13-11-26/h2-7,14-15H,1,8-13H2,(H2,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 381.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 10523894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).