5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione

C28H34N6O2 — CID 15602805

IUPAC5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
InChIKeyAFAITHRNRONGKR-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.49
Rot. Bonds5

About 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione

5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 15602805) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID15602805
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
InChIKeyAFAITHRNRONGKR-UHFFFAOYSA-N
XLogP3.49
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione (CID 15602805) is 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione is CCn1cc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is AFAITHRNRONGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36).
What are the key properties of 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 486.62 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 15602805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).