6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline

C29H31N7 — CID 11554736

IUPAC6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline
SMILESCC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cncc3[nH]2)cc1
InChIInChI=1S/C29H31N7/c1-29(2,3)22-7-5-21(6-8-22)28-33-25-17-30-18-26(27(25)34-28)36-14-12-35(13-15-36)19-20-4-9-23-24(16-20)32-11-10-31-23/h4-11,16-18H,12-15,19H2,1-3H3,(H,33,34)
InChIKeyLABMVSQIHODPFZ-UHFFFAOYSA-N
MW477.62 g/mol
LogP5.19
Rot. Bonds4

About 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline

6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline (PubChem CID 11554736) has the molecular formula C29H31N7 and a molecular weight of 477.62 g/mol. Its IUPAC name is 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline
PubChem CID11554736
Molecular FormulaC29H31N7
Molecular Weight477.62 g/mol
Exact Mass477.26
IUPAC Name6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline
SMILESCC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cncc3[nH]2)cc1
InChIInChI=1S/C29H31N7/c1-29(2,3)22-7-5-21(6-8-22)28-33-25-17-30-18-26(27(25)34-28)36-14-12-35(13-15-36)19-20-4-9-23-24(16-20)32-11-10-31-23/h4-11,16-18H,12-15,19H2,1-3H3,(H,33,34)
InChIKeyLABMVSQIHODPFZ-UHFFFAOYSA-N
XLogP5.19
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline with MolForge

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Related Compounds

6-[[4-[2-(4-methylsulfonylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline
CID 11612989
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
2-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 11634096
2-(4-tert-butylphenyl)-4-[4-[(1,5-dimethylimidazol-4-yl)methyl]piperazin-1-yl]-1H-benzimidazole
CID 68577969
5-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 68577479
2-(4-tert-butylphenyl)-4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole
CID 44573509
2-(4-tert-butylphenyl)-4-[4-[(2-phenylmethoxypyrimidin-4-yl)methyl]piperazin-1-yl]-1H-benzimidazole
CID 68577594
4-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-N-ethyl-N-methylpyrimidin-2-amine
CID 68577729
2-(4-tert-butylphenyl)-4-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-1H-benzimidazole
CID 44573507
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-4-(2-morpholin-4-ylethyl)-1H-quinoxaline-2,3-dione
CID 68577703
7-piperidin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 136643319
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 68577276

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline?
The IUPAC name of 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline (CID 11554736) is 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline?
The canonical SMILES for 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline is CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cncc3[nH]2)cc1.
What is the InChIKey of 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline?
The InChIKey is LABMVSQIHODPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7/c1-29(2,3)22-7-5-21(6-8-22)28-33-25-17-30-18-26(27(25)34-28)36-14-12-35(13-15-36)19-20-4-9-23-24(16-20)32-11-10-31-23/h4-11,16-18H,12-15,19H2,1-3H3,(H,33,34).
What are the key properties of 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline?
6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline has a molecular weight of 477.62 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-(4-tert-butylphenyl)-3H-imidazo[4,5-c]pyridin-7-yl]piperazin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 11554736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).