2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C23H28N6O — CID 66839040

IUPAC2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(C=Cc2nc3n(n2)CCCC3C2CCCN2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H28N6O/c1-16-14-28(15-25-16)20-9-7-17(13-21(20)30-2)8-10-22-26-23-18(19-6-3-11-24-19)5-4-12-29(23)27-22/h7-10,13-15,18-19,24H,3-6,11-12H2,1-2H3
InChIKeyGVVBMPRIGKTOQQ-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66839040) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID66839040
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(C=Cc2nc3n(n2)CCCC3C2CCCN2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H28N6O/c1-16-14-28(15-25-16)20-9-7-17(13-21(20)30-2)8-10-22-26-23-18(19-6-3-11-24-19)5-4-12-29(23)27-22/h7-10,13-15,18-19,24H,3-6,11-12H2,1-2H3
InChIKeyGVVBMPRIGKTOQQ-UHFFFAOYSA-N
XLogP3.58
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

8-cyclopropyl-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839149
(8R)-8-cyclohexyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-cyclohexyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 161065367
1-[4-[(8R)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-1-yl]ethanone
CID 90843935
(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 143770172
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839114
(8R)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-(1-benzylpiperidin-4-yl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 162069470
(8R)-8-(4-chlorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299770
(8R)-8-(4-bromophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 91341940
8-(4-bromophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839235
tert-butyl 4-[2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-1-carboxylate
CID 66839458
8-(6-chloro-3-pyridinyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 76624838
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(2,4,6-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 24853006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66839040) is 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(C=Cc2nc3n(n2)CCCC3C2CCCN2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GVVBMPRIGKTOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-14-28(15-25-16)20-9-7-17(13-21(20)30-2)8-10-22-26-23-18(19-6-3-11-24-19)5-4-12-29(23)27-22/h7-10,13-15,18-19,24H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 404.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-pyrrolidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66839040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).