2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C24H28N6O — CID 131668931

IUPAC2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCn1cc(CN2CCCC(c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1
InChIInChI=1S/C24H28N6O/c1-3-29-15-18(13-25-29)14-28-11-5-7-21(16-28)24-26-23-10-9-20(17-30(23)27-24)19-6-4-8-22(12-19)31-2/h4,6,8-10,12-13,15,17,21H,3,5,7,11,14,16H2,1-2H3
InChIKeyJGISMFRNEUTRQJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.00
Rot. Bonds6

About 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 131668931) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID131668931
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCn1cc(CN2CCCC(c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1
InChIInChI=1S/C24H28N6O/c1-3-29-15-18(13-25-29)14-28-11-5-7-21(16-28)24-26-23-10-9-20(17-30(23)27-24)19-6-4-8-22(12-19)31-2/h4,6,8-10,12-13,15,17,21H,3,5,7,11,14,16H2,1-2H3
InChIKeyJGISMFRNEUTRQJ-UHFFFAOYSA-N
XLogP4.00
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 131671470
furan-2-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 131668923
6-(3-methoxyphenyl)-2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155853090
2-(1-ethylpiperidin-3-yl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117129320
furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 131671421
[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131671438
2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 131669042
4-[2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826344
6-(3-fluorophenyl)-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155826048
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 131668931) is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is CCn1cc(CN2CCCC(c3nc4ccc(-c5cccc(OC)c5)cn4n3)C2)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JGISMFRNEUTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-3-29-15-18(13-25-29)14-28-11-5-7-21(16-28)24-26-23-10-9-20(17-30(23)27-24)19-6-4-8-22(12-19)31-2/h4,6,8-10,12-13,15,17,21H,3,5,7,11,14,16H2,1-2H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 416.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 131668931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).