2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine

C21H21N7 — CID 118476753

IUPAC2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine
SMILESC=Cc1c([C@@H]2CC2c2cc(-n3nc(C)nc3C)nc(C)n2)nc2ccccn12
InChIInChI=1S/C21H21N7/c1-5-18-21(25-19-8-6-7-9-27(18)19)16-10-15(16)17-11-20(24-12(2)23-17)28-14(4)22-13(3)26-28/h5-9,11,15-16H,1,10H2,2-4H3/t15?,16-/m1/s1
InChIKeyZOIBTENGDKOKRD-OEMAIJDKSA-N
MW371.45 g/mol
LogP3.54
Rot. Bonds4

About 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine

2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine (PubChem CID 118476753) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine
PubChem CID118476753
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine
SMILESC=Cc1c([C@@H]2CC2c2cc(-n3nc(C)nc3C)nc(C)n2)nc2ccccn12
InChIInChI=1S/C21H21N7/c1-5-18-21(25-19-8-6-7-9-27(18)19)16-10-15(16)17-11-20(24-12(2)23-17)28-14(4)22-13(3)26-28/h5-9,11,15-16H,1,10H2,2-4H3/t15?,16-/m1/s1
InChIKeyZOIBTENGDKOKRD-OEMAIJDKSA-N
XLogP3.54
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
CID 166910996
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole
CID 71547543
2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 61346910
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 71547783
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-(oxolan-2-ylmethyl)benzimidazole
CID 71547785
2-[(1S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381595
2-methyl-1-[5-methyl-2-[2-methyl-6-[(1R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]propan-1-ol
CID 118423608
cis-(1S,2S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpyrimidin-4-yl]cyclopropane-1-carbaldehyde
CID 89493362
2-[(1S,2S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381596
cis-(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methoxypyrimidin-4-yl]cyclopropane-1-carbaldehyde
CID 89486865
2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine
CID 176758475
2-(2-bicyclo[2.2.1]heptanyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 165499895

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine (CID 118476753) is 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine is C=Cc1c([C@@H]2CC2c2cc(-n3nc(C)nc3C)nc(C)n2)nc2ccccn12.
What is the InChIKey of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine?
The InChIKey is ZOIBTENGDKOKRD-OEMAIJDKSA-N. The full InChI is InChI=1S/C21H21N7/c1-5-18-21(25-19-8-6-7-9-27(18)19)16-10-15(16)17-11-20(24-12(2)23-17)28-14(4)22-13(3)26-28/h5-9,11,15-16H,1,10H2,2-4H3/t15?,16-/m1/s1.
What are the key properties of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine?
2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine has a molecular weight of 371.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 118476753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).