[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone

C24H27N5O — CID 46965180

IUPAC[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C24H27N5O/c1-24(2,3)23-27-16-20(17-6-11-25-12-7-17)21(28-23)18-8-13-29(14-9-18)22(30)19-5-4-10-26-15-19/h4-7,10-12,15-16,18H,8-9,13-14H2,1-3H3
InChIKeyIRPGGUBKIRAGJV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.25
Rot. Bonds3

About [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 46965180) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID46965180
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C24H27N5O/c1-24(2,3)23-27-16-20(17-6-11-25-12-7-17)21(28-23)18-8-13-29(14-9-18)22(30)19-5-4-10-26-15-19/h4-7,10-12,15-16,18H,8-9,13-14H2,1-3H3
InChIKeyIRPGGUBKIRAGJV-UHFFFAOYSA-N
XLogP4.25
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46965174
1-[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 46965171
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 46954742
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218
1-[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 46954737
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 16669854
[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
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
1,3-benzodioxol-5-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16669558

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 46965180) is [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone is CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccnc3)CC2)n1.
What is the InChIKey of [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IRPGGUBKIRAGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-24(2,3)23-27-16-20(17-6-11-25-12-7-17)21(28-23)18-8-13-29(14-9-18)22(30)19-5-4-10-26-15-19/h4-7,10-12,15-16,18H,8-9,13-14H2,1-3H3.
What are the key properties of [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 401.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 46965180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).