5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine

C23H28FN5O — CID 20779101

IUPAC5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine
SMILESCc1cc(-c2cnc(OC(C)C)nc2N2CCC(c3nc[nH]c3C)CC2)ccc1F
InChIInChI=1S/C23H28FN5O/c1-14(2)30-23-25-12-19(18-5-6-20(24)15(3)11-18)22(28-23)29-9-7-17(8-10-29)21-16(4)26-13-27-21/h5-6,11-14,17H,7-10H2,1-4H3,(H,26,27)
InChIKeyJEQIIGBJDMXNBG-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.79
Rot. Bonds5

About 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine

5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine (PubChem CID 20779101) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine
PubChem CID20779101
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine
SMILESCc1cc(-c2cnc(OC(C)C)nc2N2CCC(c3nc[nH]c3C)CC2)ccc1F
InChIInChI=1S/C23H28FN5O/c1-14(2)30-23-25-12-19(18-5-6-20(24)15(3)11-18)22(28-23)29-9-7-17(8-10-29)21-16(4)26-13-27-21/h5-6,11-14,17H,7-10H2,1-4H3,(H,26,27)
InChIKeyJEQIIGBJDMXNBG-UHFFFAOYSA-N
XLogP4.79
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine (CID 20779101) is 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine is Cc1cc(-c2cnc(OC(C)C)nc2N2CCC(c3nc[nH]c3C)CC2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine?
The InChIKey is JEQIIGBJDMXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-14(2)30-23-25-12-19(18-5-6-20(24)15(3)11-18)22(28-23)29-9-7-17(8-10-29)21-16(4)26-13-27-21/h5-6,11-14,17H,7-10H2,1-4H3,(H,26,27).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine?
5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine has a molecular weight of 409.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-2-propan-2-yloxypyrimidine is sourced from PubChem (CID 20779101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).