[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C21H24N4O4 — CID 35897336

IUPAC[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(OC)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-16-8-7-15(18(28-2)19(16)29-3)21(26)24-12-9-14(10-13-24)20-23-22-17-6-4-5-11-25(17)20/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyQRXPYBXQBVVWJY-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.77
Rot. Bonds5

About [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 35897336) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID35897336
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(OC)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-16-8-7-15(18(28-2)19(16)29-3)21(26)24-12-9-14(10-13-24)20-23-22-17-6-4-5-11-25(17)20/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyQRXPYBXQBVVWJY-UHFFFAOYSA-N
XLogP2.77
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxynaphthalen-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898021
(2,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742881
(4-bromo-3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898713
(3-ethoxy-4-methoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742735
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(1-ethylindol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51255839
(2,3-dimethyl-1H-indol-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31999452
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
(3-methylthiophen-2-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46524423

Frequently Asked Questions

What is the IUPAC name of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 35897336) is [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(OC)c1OC.
What is the InChIKey of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is QRXPYBXQBVVWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-16-8-7-15(18(28-2)19(16)29-3)21(26)24-12-9-14(10-13-24)20-23-22-17-6-4-5-11-25(17)20/h4-8,11,14H,9-10,12-13H2,1-3H3.
What are the key properties of [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 396.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 35897336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).