methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride

C25H24ClN5O3 — CID 19771802

About methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride

methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride (PubChem CID 19771802) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride
• PubChem CID: 19771802
• Molecular Formula: C25H24ClN5O3
• Molecular Weight: 477.95 g/mol
• Exact Mass: 477.16
• IUPAC Name: methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride
• SMILES: COC(=O)c1c(C)nc2c(c1OCc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2.Cl
• InChI: InChI=1S/C25H23N5O3.ClH/c1-15-22(25(31)32-2)23(20-8-5-9-21(20)26-15)33-14-16-10-12-17(13-11-16)18-6-3-4-7-19(18)24-27-29-30-28-24;/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,27,28,29,30);1H
• InChIKey: GLZKVEBWBRODCH-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.95
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride?

The IUPAC name of methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride (CID 19771802) is methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride.

What is the SMILES notation for methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride?

The canonical SMILES for methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride is COC(=O)c1c(C)nc2c(c1OCc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2.Cl.

What is the InChIKey of methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride?

The InChIKey is GLZKVEBWBRODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3.ClH/c1-15-22(25(31)32-2)23(20-8-5-9-21(20)26-15)33-14-16-10-12-17(13-11-16)18-6-3-4-7-19(18)24-27-29-30-28-24;/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,27,28,29,30);1H.

What are the key properties of methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride?

methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride has a molecular weight of 477.95 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 19771802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).