methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate

C28H27N7O2 — CID 15187690

IUPACmethyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
SMILESCCCCc1nc(-c2ccc(C(=O)OC)cn2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H27N7O2/c1-3-4-9-26-30-25(24-15-14-21(16-29-24)28(36)37-2)18-35(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27-31-33-34-32-27/h5-8,10-16,18H,3-4,9,17H2,1-2H3,(H,31,32,33,34)
InChIKeyJNBOEYLRJYDFAM-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.97
Rot. Bonds9

About methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate

methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate (PubChem CID 15187690) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
PubChem CID15187690
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Namemethyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
SMILESCCCCc1nc(-c2ccc(C(=O)OC)cn2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H27N7O2/c1-3-4-9-26-30-25(24-15-14-21(16-29-24)28(36)37-2)18-35(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27-31-33-34-32-27/h5-8,10-16,18H,3-4,9,17H2,1-2H3,(H,31,32,33,34)
InChIKeyJNBOEYLRJYDFAM-UHFFFAOYSA-N
XLogP4.97
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl candesartan
CID 15654696
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10529249
2-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-6-methyl-nicotinic acid
CID 10048997
2-butyl-4,5-dihydro-4-oxo-3-[2'-(tetrazol-5-yl)-biphenyl-4-ylmethyl]-5-(o-ethoxycarbonyl-benzyl)-3H-imidazo[4,5-c]-pyridine
CID 10168097
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-5-carboxylic acid methyl ester
CID 10625050
1-Dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-3-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10672861
1-Carbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10719057
1-Isopropyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10814055
methyl 2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate
CID 10873643
Methyl 1-[5-cyano-2-propyl-1-[(2'-(1H-tetrazol-5-yl)biphen-4-yl)methyl]-1H-imidazol-4-yl]-1H-pyrrole-2-carboxylate
CID 14962851
5-(2-carboxypyrrol-1-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 14962855
Methyl 2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate
CID 14962909

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate (CID 15187690) is methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate is CCCCc1nc(-c2ccc(C(=O)OC)cn2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate?
The InChIKey is JNBOEYLRJYDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-3-4-9-26-30-25(24-15-14-21(16-29-24)28(36)37-2)18-35(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27-31-33-34-32-27/h5-8,10-16,18H,3-4,9,17H2,1-2H3,(H,31,32,33,34).
What are the key properties of methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate?
methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate has a molecular weight of 493.57 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 15187690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).