2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone

C23H27N9O2 — CID 167877340

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESCc1ccnc(-c2noc(CC3CCN(C(=O)Cc4c(C)nc5nc(N)nn5c4C)CC3)n2)c1
InChIInChI=1S/C23H27N9O2/c1-13-4-7-25-18(10-13)21-27-19(34-30-21)11-16-5-8-31(9-6-16)20(33)12-17-14(2)26-23-28-22(24)29-32(23)15(17)3/h4,7,10,16H,5-6,8-9,11-12H2,1-3H3,(H2,24,29)
InChIKeyLNPOONDSATVKTA-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 167877340) has the molecular formula C23H27N9O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
PubChem CID167877340
Molecular FormulaC23H27N9O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESCc1ccnc(-c2noc(CC3CCN(C(=O)Cc4c(C)nc5nc(N)nn5c4C)CC3)n2)c1
InChIInChI=1S/C23H27N9O2/c1-13-4-7-25-18(10-13)21-27-19(34-30-21)11-16-5-8-31(9-6-16)20(33)12-17-14(2)26-23-28-22(24)29-32(23)15(17)3/h4,7,10,16H,5-6,8-9,11-12H2,1-3H3,(H2,24,29)
InChIKeyLNPOONDSATVKTA-UHFFFAOYSA-N
XLogP2.10
TPSA141.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (CID 167877340) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is Cc1ccnc(-c2noc(CC3CCN(C(=O)Cc4c(C)nc5nc(N)nn5c4C)CC3)n2)c1.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LNPOONDSATVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2/c1-13-4-7-25-18(10-13)21-27-19(34-30-21)11-16-5-8-31(9-6-16)20(33)12-17-14(2)26-23-28-22(24)29-32(23)15(17)3/h4,7,10,16H,5-6,8-9,11-12H2,1-3H3,(H2,24,29).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 461.53 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167877340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).