(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone

C20H23N5O2 — CID 99948415

IUPAC(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCCN2C(=O)c2nnc3nc(C)cc(C)n23)c1
InChIInChI=1S/C20H23N5O2/c1-13-11-14(2)25-18(22-23-20(25)21-13)19(26)24-10-5-4-9-17(24)15-7-6-8-16(12-15)27-3/h6-8,11-12,17H,4-5,9-10H2,1-3H3/t17-/m1/s1
InChIKeyNAROOZKPLADMFA-QGZVFWFLSA-N
MW365.44 g/mol
LogP3.12
Rot. Bonds3

About (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 99948415) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID99948415
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCCN2C(=O)c2nnc3nc(C)cc(C)n23)c1
InChIInChI=1S/C20H23N5O2/c1-13-11-14(2)25-18(22-23-20(25)21-13)19(26)24-10-5-4-9-17(24)15-7-6-8-16(12-15)27-3/h6-8,11-12,17H,4-5,9-10H2,1-3H3/t17-/m1/s1
InChIKeyNAROOZKPLADMFA-QGZVFWFLSA-N
XLogP3.12
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628253
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70712326
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
CID 99944641
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 99948415) is (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc([C@H]2CCCCN2C(=O)c2nnc3nc(C)cc(C)n23)c1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is NAROOZKPLADMFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-11-14(2)25-18(22-23-20(25)21-13)19(26)24-10-5-4-9-17(24)15-7-6-8-16(12-15)27-3/h6-8,11-12,17H,4-5,9-10H2,1-3H3/t17-/m1/s1.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 99948415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).