(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C28H25FN4O2 — CID 26403527

IUPAC(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C28H25FN4O2/c1-35-25-10-9-21(16-24(25)29)28(34)33-14-11-20(12-15-33)26-23(19-6-3-2-4-7-19)18-31-27(32-26)22-8-5-13-30-17-22/h2-10,13,16-18,20H,11-12,14-15H2,1H3
InChIKeyCHISROIRHMFPGC-UHFFFAOYSA-N
MW468.53 g/mol
LogP5.37
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 26403527) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID26403527
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)cc1F
InChIInChI=1S/C28H25FN4O2/c1-35-25-10-9-21(16-24(25)29)28(34)33-14-11-20(12-15-33)26-23(19-6-3-2-4-7-19)18-31-27(32-26)22-8-5-13-30-17-22/h2-10,13,16-18,20H,11-12,14-15H2,1H3
InChIKeyCHISROIRHMFPGC-UHFFFAOYSA-N
XLogP5.37
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-(2,3,6-trifluorophenyl)methanone
CID 42212179
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459
1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 26321904
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 46954742
1-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 42482790
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 46965180
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 26359525
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(2,3,6-trifluorophenyl)methanone
CID 26343730

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 26403527) is (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is CHISROIRHMFPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c1-35-25-10-9-21(16-24(25)29)28(34)33-14-11-20(12-15-33)26-23(19-6-3-2-4-7-19)18-31-27(32-26)22-8-5-13-30-17-22/h2-10,13,16-18,20H,11-12,14-15H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 468.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 26403527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).