2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine

C23H22Cl2N6O — CID 11669977

IUPAC2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine
SMILESCC(C)c1ccnc(CCc2ccc(-c3nn[nH]n3)cc2)c1OCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C23H22Cl2N6O/c1-14(2)18-9-10-26-19(22(18)32-13-16-11-20(24)27-21(25)12-16)8-5-15-3-6-17(7-4-15)23-28-30-31-29-23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,28,29,30,31)
InChIKeyXOEKXYCBXKNTSD-UHFFFAOYSA-N
MW469.38 g/mol
LogP5.45
Rot. Bonds8

About 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine

2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine (PubChem CID 11669977) has the molecular formula C23H22Cl2N6O and a molecular weight of 469.38 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine
PubChem CID11669977
Molecular FormulaC23H22Cl2N6O
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine
SMILESCC(C)c1ccnc(CCc2ccc(-c3nn[nH]n3)cc2)c1OCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C23H22Cl2N6O/c1-14(2)18-9-10-26-19(22(18)32-13-16-11-20(24)27-21(25)12-16)8-5-15-3-6-17(7-4-15)23-28-30-31-29-23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,28,29,30,31)
InChIKeyXOEKXYCBXKNTSD-UHFFFAOYSA-N
XLogP5.45
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine 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

6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine
CID 143142756
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
7-chloro-2-[5-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]quinoline
CID 67690189
4-(2-methylpropyl)-6-(2H-tetrazol-5-yl)quinoline
CID 170001506
5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58128939
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine (CID 11669977) is 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine is CC(C)c1ccnc(CCc2ccc(-c3nn[nH]n3)cc2)c1OCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine?
The InChIKey is XOEKXYCBXKNTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O/c1-14(2)18-9-10-26-19(22(18)32-13-16-11-20(24)27-21(25)12-16)8-5-15-3-6-17(7-4-15)23-28-30-31-29-23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,28,29,30,31).
What are the key properties of 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine?
2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine has a molecular weight of 469.38 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine is sourced from PubChem (CID 11669977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).