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

C25H22N6O — CID 46965218

IUPACpyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C25H22N6O/c32-25(20-4-3-10-27-16-20)31-14-8-19(9-15-31)23-21(18-6-12-26-13-7-18)17-29-24(30-23)22-5-1-2-11-28-22/h1-7,10-13,16-17,19H,8-9,14-15H2
InChIKeyNCMCDAQSKRHKKM-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.02
Rot. Bonds4

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

pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 46965218) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID46965218
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Namepyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C25H22N6O/c32-25(20-4-3-10-27-16-20)31-14-8-19(9-15-31)23-21(18-6-12-26-13-7-18)17-29-24(30-23)22-5-1-2-11-28-22/h1-7,10-13,16-17,19H,8-9,14-15H2
InChIKeyNCMCDAQSKRHKKM-UHFFFAOYSA-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-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954762
pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590860
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 46965180
1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 51583286
2-methyl-1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51584074
2-methyl-1-[3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 46965163
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455
[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954753
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 46965218) is pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1.
What is the InChIKey of pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is NCMCDAQSKRHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c32-25(20-4-3-10-27-16-20)31-14-8-19(9-15-31)23-21(18-6-12-26-13-7-18)17-29-24(30-23)22-5-1-2-11-28-22/h1-7,10-13,16-17,19H,8-9,14-15H2.
What are the key properties of pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
pyridin-3-yl-[4-(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-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46965218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).