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

C26H27N5O4 — CID 23355245

IUPACmethyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate
SMILESCCCCc1cc(C(=O)OC)cc(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1OC
InChIInChI=1S/C26H27N5O4/c1-4-5-11-20-14-19(26(33)35-3)15-22(32)31(20)16-18-12-13-21(17-9-7-6-8-10-17)23(24(18)34-2)25-27-29-30-28-25/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,27,28,29,30)
InChIKeyVMYRDUAKANARSU-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.88
Rot. Bonds9

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

methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate (PubChem CID 23355245) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate
PubChem CID23355245
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Namemethyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate
SMILESCCCCc1cc(C(=O)OC)cc(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1OC
InChIInChI=1S/C26H27N5O4/c1-4-5-11-20-14-19(26(33)35-3)15-22(32)31(20)16-18-12-13-21(17-9-7-6-8-10-17)23(24(18)34-2)25-27-29-30-28-25/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,27,28,29,30)
InChIKeyVMYRDUAKANARSU-UHFFFAOYSA-N
XLogP3.88
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-butyl-1-[[2-cyano-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylic acid
CID 54193978
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
[2-butyl-6-oxo-1-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-4-pyridinyl] hydrogen carbonate;hydrochloride
CID 67704814
methyl 2-[[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methoxymethyl]thiophene-3-carboxylate
CID 67817026
2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylic acid
CID 67710440
1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylate
CID 19091497
3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1-propanoyl-4-propylimidazol-2-one
CID 67910659
3-(aminomethyl)-6-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CID 19012384
methyl 2-[[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]methyl]benzoate
CID 19939367
ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 174296805
1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one
CID 139699075

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate?
The IUPAC name of methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate (CID 23355245) is methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate is CCCCc1cc(C(=O)OC)cc(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1OC.
What is the InChIKey of methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate?
The InChIKey is VMYRDUAKANARSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-4-5-11-20-14-19(26(33)35-3)15-22(32)31(20)16-18-12-13-21(17-9-7-6-8-10-17)23(24(18)34-2)25-27-29-30-28-25/h6-10,12-15H,4-5,11,16H2,1-3H3,(H,27,28,29,30).
What are the key properties of methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate?
methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-1-[[2-methoxy-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-oxopyridine-4-carboxylate is sourced from PubChem (CID 23355245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).