6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one

C23H24N4O2 — CID 50969547

IUPAC6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCCC(c4nnc5ccccn45)C3)c2cc1C
InChIInChI=1S/C23H24N4O2/c1-15-10-19-18(12-22(28)29-20(19)11-16(15)2)14-26-8-5-6-17(13-26)23-25-24-21-7-3-4-9-27(21)23/h3-4,7,9-12,17H,5-6,8,13-14H2,1-2H3
InChIKeyGCAKBWALFBEIAN-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.83
Rot. Bonds3

About 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one

6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one (PubChem CID 50969547) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
PubChem CID50969547
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCCC(c4nnc5ccccn45)C3)c2cc1C
InChIInChI=1S/C23H24N4O2/c1-15-10-19-18(12-22(28)29-20(19)11-16(15)2)14-26-8-5-6-17(13-26)23-25-24-21-7-3-4-9-27(21)23/h3-4,7,9-12,17H,5-6,8,13-14H2,1-2H3
InChIKeyGCAKBWALFBEIAN-UHFFFAOYSA-N
XLogP3.83
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 86908994
6,7-dimethyl-4-[(3-phenylpyrrolidin-1-yl)methyl]chromen-2-one
CID 71881985
3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124907243
2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
6,7-dimethyl-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]chromen-2-one
CID 50983259
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 77097111
3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
CID 126782854
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42885973

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one?
The IUPAC name of 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one (CID 50969547) is 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one is Cc1cc2oc(=O)cc(CN3CCCC(c4nnc5ccccn45)C3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one?
The InChIKey is GCAKBWALFBEIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-10-19-18(12-22(28)29-20(19)11-16(15)2)14-26-8-5-6-17(13-26)23-25-24-21-7-3-4-9-27(21)23/h3-4,7,9-12,17H,5-6,8,13-14H2,1-2H3.
What are the key properties of 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one?
6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one has a molecular weight of 388.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 50969547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).