pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C25H22N6O — CID 51590860

IUPACpyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1
InChIInChI=1S/C25H22N6O/c32-25(19-8-13-27-14-9-19)31-15-3-4-20(17-31)23-21(18-6-11-26-12-7-18)16-29-24(30-23)22-5-1-2-10-28-22/h1-2,5-14,16,20H,3-4,15,17H2/t20-/m1/s1
InChIKeyHGWPLDADMXOIIJ-HXUWFJFHSA-N
MW422.49 g/mol
LogP4.02
Rot. Bonds4

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

pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 51590860) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID51590860
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Namepyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1
InChIInChI=1S/C25H22N6O/c32-25(19-8-13-27-14-9-19)31-15-3-4-20(17-31)23-21(18-6-11-26-12-7-18)16-29-24(30-23)22-5-1-2-10-28-22/h1-2,5-14,16,20H,3-4,15,17H2/t20-/m1/s1
InChIKeyHGWPLDADMXOIIJ-HXUWFJFHSA-N
XLogP4.02
TPSA84.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 51583286
2-methyl-1-[3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 46965163
2-methyl-1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51584074
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218
[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954762
[(3S)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(2,3,6-trifluorophenyl)methanone
CID 26343730
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110214384
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
pyridin-4-yl-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46960056
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[(3R)-3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 92565297

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 51590860) is pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1ccncc1)N1CCC[C@@H](c2nc(-c3ccccn3)ncc2-c2ccncc2)C1.
What is the InChIKey of pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is HGWPLDADMXOIIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22N6O/c32-25(19-8-13-27-14-9-19)31-15-3-4-20(17-31)23-21(18-6-11-26-12-7-18)16-29-24(30-23)22-5-1-2-10-28-22/h1-2,5-14,16,20H,3-4,15,17H2/t20-/m1/s1.
What are the key properties of pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 422.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).