5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione

C27H33N7O2 — CID 11591226

IUPAC5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C27H33N7O2/c1-5-33-17-19(25(35)31-26(33)36)16-32-10-12-34(13-11-32)22-15-28-14-21-23(22)30-24(29-21)18-6-8-20(9-7-18)27(2,3)4/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,29,30)(H,31,35,36)
InChIKeyOAPVAWQNSZNDJH-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.11
Rot. Bonds5

About 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione

5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 11591226) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID11591226
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C27H33N7O2/c1-5-33-17-19(25(35)31-26(33)36)16-32-10-12-34(13-11-32)22-15-28-14-21-23(22)30-24(29-21)18-6-8-20(9-7-18)27(2,3)4/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,29,30)(H,31,35,36)
InChIKeyOAPVAWQNSZNDJH-UHFFFAOYSA-N
XLogP3.11
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione (CID 11591226) is 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione is CCn1cc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is OAPVAWQNSZNDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-5-33-17-19(25(35)31-26(33)36)16-32-10-12-34(13-11-32)22-15-28-14-21-23(22)30-24(29-21)18-6-8-20(9-7-18)27(2,3)4/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,29,30)(H,31,35,36).
What are the key properties of 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione?
5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 487.61 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 11591226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).