4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine

C23H23FN6O — CID 52919520

IUPAC4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccon3)CC2)ccn1
InChIInChI=1S/C23H23FN6O/c24-18-3-1-16(2-4-18)22-23(17-5-9-26-21(25)13-17)30(15-27-22)20-6-10-29(11-7-20)14-19-8-12-31-28-19/h1-5,8-9,12-13,15,20H,6-7,10-11,14H2,(H2,25,26)
InChIKeyYBZNBTBKXOESJT-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.16
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine

4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine (PubChem CID 52919520) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine
PubChem CID52919520
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccon3)CC2)ccn1
InChIInChI=1S/C23H23FN6O/c24-18-3-1-16(2-4-18)22-23(17-5-9-26-21(25)13-17)30(15-27-22)20-6-10-29(11-7-20)14-19-8-12-31-28-19/h1-5,8-9,12-13,15,20H,6-7,10-11,14H2,(H2,25,26)
InChIKeyYBZNBTBKXOESJT-UHFFFAOYSA-N
XLogP4.16
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine (CID 52919520) is 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccon3)CC2)ccn1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is YBZNBTBKXOESJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c24-18-3-1-16(2-4-18)22-23(17-5-9-26-21(25)13-17)30(15-27-22)20-6-10-29(11-7-20)14-19-8-12-31-28-19/h1-5,8-9,12-13,15,20H,6-7,10-11,14H2,(H2,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 52919520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).