2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride

C26H32ClN7O — CID 67608805

IUPAC2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride
SMILESCOc1nc(-c2nc(N3CCCC(c4ccccc4)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1.Cl
InChIInChI=1S/C26H31N7O.ClH/c1-18(2)33-26(31-14-8-11-21(16-31)20-9-6-5-7-10-20)29-24(30-33)22-12-13-23(25(28-22)34-4)32-15-19(3)27-17-32;/h5-7,9-10,12-13,15,17-18,21H,8,11,14,16H2,1-4H3;1H
InChIKeyVUTWSAMACGHEPN-UHFFFAOYSA-N
MW494.04 g/mol
LogP5.23
Rot. Bonds6

About 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride

2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride (PubChem CID 67608805) has the molecular formula C26H32ClN7O and a molecular weight of 494.04 g/mol. Its IUPAC name is 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride
PubChem CID67608805
Molecular FormulaC26H32ClN7O
Molecular Weight494.04 g/mol
Exact Mass493.24
IUPAC Name2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride
SMILESCOc1nc(-c2nc(N3CCCC(c4ccccc4)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1.Cl
InChIInChI=1S/C26H31N7O.ClH/c1-18(2)33-26(31-14-8-11-21(16-31)20-9-6-5-7-10-20)29-24(30-33)22-12-13-23(25(28-22)34-4)32-15-19(3)27-17-32;/h5-7,9-10,12-13,15,17-18,21H,8,11,14,16H2,1-4H3;1H
InChIKeyVUTWSAMACGHEPN-UHFFFAOYSA-N
XLogP5.23
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.04
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-(4-fluorophenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 67606635
(8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 70227530
8-(4-fluoro-3-pyrimidin-2-ylphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66778795
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[3-(trifluoromethoxy)hepta-3,5-dien-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 91581396
8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 142710498
8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66778067
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-9-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 66777815
(8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 70226905
N-cyclohexyl-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391643
8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66778404
8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 66777614
(8R)-8-[4-chloro-2-(1,1-difluoroethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 162561705

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride?
The IUPAC name of 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride (CID 67608805) is 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride.
What is the SMILES notation for 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride?
The canonical SMILES for 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride is COc1nc(-c2nc(N3CCCC(c4ccccc4)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1.Cl.
What is the InChIKey of 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride?
The InChIKey is VUTWSAMACGHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O.ClH/c1-18(2)33-26(31-14-8-11-21(16-31)20-9-6-5-7-10-20)29-24(30-33)22-12-13-23(25(28-22)34-4)32-15-19(3)27-17-32;/h5-7,9-10,12-13,15,17-18,21H,8,11,14,16H2,1-4H3;1H.
What are the key properties of 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride?
2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride has a molecular weight of 494.04 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride is sourced from PubChem (CID 67608805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).