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

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

CAS: 1293395-67-1

Formula: C22H22FN7O

SMILES: NC1=NC=CC(=N1)C1=C(N=CN1C1CCN(CC2=NOC=C2)CC1)C1=CC=C(F)C=C1

IUPAC: 4-[4-(4-fluorophenyl)-1-{1-[(1,2-oxazol-3-yl)methyl]piperidin-4-yl}-1H-imidazol-5-yl]pyrimidin-2-amine

InChI: InChI=1S/C22H22FN7O/c23-16-3-1-15(2-4-16)20-21(19-5-9-25-22(24)27-19)30(14-26-20)18-6-10-29(11-7-18)13-17-8-12-31-28-17/h1-5,8-9,12,14,18H,6-7,10-11,13H2,(H2,24,25,27)

Composition: C (63.00%), H (5.29%), F (4.53%), N (23.37%), O (3.81%)

Molar Mass: 419.464

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 419.186986519
Formal Charge 0
FSP3 0.27
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey XPWHRQHBPRSUAW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.83
Topological Polar Surface Area 98.89
Polarizability 45.38
Ring Count 5
Rotatable Bond Count 5

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