4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol

C27H29FN6O — CID 20594042

IUPAC4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol
SMILESC[C@H](Nc1nccc(-n2cc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C27H29FN6O/c1-19(20-6-4-3-5-7-20)30-26-29-15-12-24(32-26)34-18-23(27(35)13-16-33(2)17-14-27)31-25(34)21-8-10-22(28)11-9-21/h3-12,15,18-19,35H,13-14,16-17H2,1-2H3,(H,29,30,32)/t19-/m0/s1
InChIKeyWOZNUFNHHCRSBL-IBGZPJMESA-N
MW472.57 g/mol
LogP4.55
Rot. Bonds6

About 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol

4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol (PubChem CID 20594042) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol
PubChem CID20594042
Molecular FormulaC27H29FN6O
Molecular Weight472.57 g/mol
Exact Mass472.24
IUPAC Name4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol
SMILESC[C@H](Nc1nccc(-n2cc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C27H29FN6O/c1-19(20-6-4-3-5-7-20)30-26-29-15-12-24(32-26)34-18-23(27(35)13-16-33(2)17-14-27)31-25(34)21-8-10-22(28)11-9-21/h3-12,15,18-19,35H,13-14,16-17H2,1-2H3,(H,29,30,32)/t19-/m0/s1
InChIKeyWOZNUFNHHCRSBL-IBGZPJMESA-N
XLogP4.55
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-4-hydroxypiperidine-1-carboxylate
CID 59070927
2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carbaldehyde
CID 59070938
4-[4-bromo-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;tert-butyl (1S,5R)-3-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 160703637
1-[4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]piperidin-1-yl]ethanone
CID 59070935
4-[2-(4-fluorophenyl)-4-thiophen-2-ylimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 20594027
4-[4-bromo-2-(4-fluorophenyl)imidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carbaldehyde
CID 159210332
4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]piperidine-1-carbaldehyde;4-[2-(4-fluorophenyl)-4-piperidin-4-ylimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 157303730
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
1-methyl-4-[4-(3-methylphenyl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 142684882
1-methyl-4-[4-(3-methylphenyl)-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 91042637
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486148

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol (CID 20594042) is 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol is C[C@H](Nc1nccc(-n2cc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol?
The InChIKey is WOZNUFNHHCRSBL-IBGZPJMESA-N. The full InChI is InChI=1S/C27H29FN6O/c1-19(20-6-4-3-5-7-20)30-26-29-15-12-24(32-26)34-18-23(27(35)13-16-33(2)17-14-27)31-25(34)21-8-10-22(28)11-9-21/h3-12,15,18-19,35H,13-14,16-17H2,1-2H3,(H,29,30,32)/t19-/m0/s1.
What are the key properties of 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol?
4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol has a molecular weight of 472.57 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 20594042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).