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

C20H21N7 — CID 90157772

IUPAC2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)cn2c1
InChIInChI=1S/C20H21N7/c1-11-5-6-19-24-18(10-26(19)9-11)16-7-15(16)17-8-20(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-6,8-10,15-16H,7H2,1-4H3
InChIKeyREGAKVSVLXHWIM-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.21
Rot. Bonds3

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

2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 90157772) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID90157772
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)cn2c1
InChIInChI=1S/C20H21N7/c1-11-5-6-19-24-18(10-26(19)9-11)16-7-15(16)17-8-20(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-6,8-10,15-16H,7H2,1-4H3
InChIKeyREGAKVSVLXHWIM-UHFFFAOYSA-N
XLogP3.21
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine (CID 90157772) is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine is Cc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)cn2c1.
What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is REGAKVSVLXHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-11-5-6-19-24-18(10-26(19)9-11)16-7-15(16)17-8-20(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-6,8-10,15-16H,7H2,1-4H3.
What are the key properties of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine?
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 359.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 90157772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).