3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C17H23N7O — CID 128980032

IUPAC3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cnc3nc(C)cc(C)n23)C1
InChIInChI=1S/C17H23N7O/c1-10-5-11(2)24-13(7-18-17(24)19-10)8-23-9-14(25-4)6-15(23)16-20-12(3)21-22-16/h5,7,14-15H,6,8-9H2,1-4H3,(H,20,21,22)/t14-,15+/m1/s1
InChIKeyGBLHMEURXZBNLN-CABCVRRESA-N
MW341.42 g/mol
LogP1.73
Rot. Bonds4

About 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 128980032) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID128980032
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cnc3nc(C)cc(C)n23)C1
InChIInChI=1S/C17H23N7O/c1-10-5-11(2)24-13(7-18-17(24)19-10)8-23-9-14(25-4)6-15(23)16-20-12(3)21-22-16/h5,7,14-15H,6,8-9H2,1-4H3,(H,20,21,22)/t14-,15+/m1/s1
InChIKeyGBLHMEURXZBNLN-CABCVRRESA-N
XLogP1.73
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

2-ethyl-4-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 128975809
3-[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 128980073
4-fluoro-2-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128982694
3-[(2S,4R)-4-methoxy-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 128980123
3-[(2S,4R)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 128980071
4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,5,5-trimethylmorpholine
CID 86791705
[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 128985134
3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 120768922
5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 136582335
3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 84593618
2-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 128982813
3-(4-fluorophenyl)-1-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 128985133

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 128980032) is 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cnc3nc(C)cc(C)n23)C1.
What is the InChIKey of 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is GBLHMEURXZBNLN-CABCVRRESA-N. The full InChI is InChI=1S/C17H23N7O/c1-10-5-11(2)24-13(7-18-17(24)19-10)8-23-9-14(25-4)6-15(23)16-20-12(3)21-22-16/h5,7,14-15H,6,8-9H2,1-4H3,(H,20,21,22)/t14-,15+/m1/s1.
What are the key properties of 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 341.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 128980032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).