3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one

C27H28FN7O2 — CID 11642342

IUPAC3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one
SMILESCC(C)n1cc(-c2ccnc(NC3CCN(C(=O)c4ccccn4)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C27H28FN7O2/c1-18(2)34-17-24(35(27(34)37)21-8-6-19(28)7-9-21)22-10-14-30-26(32-22)31-20-11-15-33(16-12-20)25(36)23-5-3-4-13-29-23/h3-10,13-14,17-18,20H,11-12,15-16H2,1-2H3,(H,30,31,32)
InChIKeyGQODPTMPFJEOIF-UHFFFAOYSA-N
MW501.57 g/mol
LogP3.93
Rot. Bonds6

About 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one

3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one (PubChem CID 11642342) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one
PubChem CID11642342
Molecular FormulaC27H28FN7O2
Molecular Weight501.57 g/mol
Exact Mass501.23
IUPAC Name3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one
SMILESCC(C)n1cc(-c2ccnc(NC3CCN(C(=O)c4ccccn4)CC3)n2)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C27H28FN7O2/c1-18(2)34-17-24(35(27(34)37)21-8-6-19(28)7-9-21)22-10-14-30-26(32-22)31-20-11-15-33(16-12-20)25(36)23-5-3-4-13-29-23/h3-10,13-14,17-18,20H,11-12,15-16H2,1-2H3,(H,30,31,32)
InChIKeyGQODPTMPFJEOIF-UHFFFAOYSA-N
XLogP3.93
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]pyrimidin-4-yl]-3-(4-fluorophenyl)-1-propan-2-ylimidazol-2-one
CID 11497869
3-(4-fluorophenyl)-4-[2-[(4-morpholin-4-ylcyclohexyl)amino]pyrimidin-4-yl]-1-propan-2-ylimidazol-2-one
CID 11671228
6-chloro-3-[[[4-[[4-[3-(4-fluorophenyl)-2-oxo-1-propan-2-ylimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]amino]methyl]-2-oxohexanal
CID 163502288
3-(4-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one
CID 58942348
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazol-2-one
CID 11432284
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(4-pyrrolidin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;dihydrochloride
CID 11599224
3-[4-[[4-[3-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
CID 11512093
1-ethyl-4-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-3-phenylimidazol-2-one
CID 59593244
3-[4-[[4-[3-(4-fluorophenyl)-1-(oxan-4-yl)-2-oxoimidazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
CID 11656968
5-[2-[(4-cyclononylcyclohexyl)amino]pyrimidin-4-yl]-1-(4-fluorophenyl)-4-methyl-3-propan-2-ylimidazol-2-one
CID 143130067
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one (CID 11642342) is 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one is CC(C)n1cc(-c2ccnc(NC3CCN(C(=O)c4ccccn4)CC3)n2)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one?
The InChIKey is GQODPTMPFJEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2/c1-18(2)34-17-24(35(27(34)37)21-8-6-19(28)7-9-21)22-10-14-30-26(32-22)31-20-11-15-33(16-12-20)25(36)23-5-3-4-13-29-23/h3-10,13-14,17-18,20H,11-12,15-16H2,1-2H3,(H,30,31,32).
What are the key properties of 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one?
3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one has a molecular weight of 501.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-propan-2-yl-4-[2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]pyrimidin-4-yl]imidazol-2-one is sourced from PubChem (CID 11642342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).