3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide

C27H27FN6O2 — CID 53239984

IUPAC3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide
SMILESNC(=O)CCc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C27H27FN6O2/c28-20-8-5-19(6-9-20)25-26(34(17-32-25)21-11-14-30-15-12-21)22-13-16-31-27(33-22)36-23-4-2-1-3-18(23)7-10-24(29)35/h1-6,8-9,13,16-17,21,30H,7,10-12,14-15H2,(H2,29,35)
InChIKeyXLIWJFSCQYQXAI-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.28
Rot. Bonds8

About 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide

3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide (PubChem CID 53239984) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide.

Molecular Properties

Compound Name3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide
PubChem CID53239984
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide
SMILESNC(=O)CCc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C27H27FN6O2/c28-20-8-5-19(6-9-20)25-26(34(17-32-25)21-11-14-30-15-12-21)22-13-16-31-27(33-22)36-23-4-2-1-3-18(23)7-10-24(29)35/h1-6,8-9,13,16-17,21,30H,7,10-12,14-15H2,(H2,29,35)
InChIKeyXLIWJFSCQYQXAI-UHFFFAOYSA-N
XLogP4.28
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide?
The IUPAC name of 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide (CID 53239984) is 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide.
What is the SMILES notation for 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide?
The canonical SMILES for 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide is NC(=O)CCc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide?
The InChIKey is XLIWJFSCQYQXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c28-20-8-5-19(6-9-20)25-26(34(17-32-25)21-11-14-30-15-12-21)22-13-16-31-27(33-22)36-23-4-2-1-3-18(23)7-10-24(29)35/h1-6,8-9,13,16-17,21,30H,7,10-12,14-15H2,(H2,29,35).
What are the key properties of 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide?
3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide has a molecular weight of 486.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]propanamide is sourced from PubChem (CID 53239984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).