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

C20H21N7 — CID 90157072

IUPAC2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1nc(C2CC2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C20H21N7/c1-11-20(24-18-7-5-6-8-26(11)18)16-9-15(16)17-10-19(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-8,10,15-16H,9H2,1-4H3
InChIKeyWGHDYOHZXVHSJS-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]-3-methylimidazo[1,2-a]pyridine

2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 90157072) 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]-3-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]-3-methylimidazo[1,2-a]pyridine
PubChem CID90157072
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]-3-methylimidazo[1,2-a]pyridine
SMILESCc1nc(C2CC2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C20H21N7/c1-11-20(24-18-7-5-6-8-26(11)18)16-9-15(16)17-10-19(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-8,10,15-16H,9H2,1-4H3
InChIKeyWGHDYOHZXVHSJS-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]-3-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]-3-methylimidazo[1,2-a]pyridine (CID 90157072) is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-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]-3-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]-3-methylimidazo[1,2-a]pyridine is Cc1nc(C2CC2c2nc3ccccn3c2C)cc(-n2nc(C)nc2C)n1.
What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is WGHDYOHZXVHSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-11-20(24-18-7-5-6-8-26(11)18)16-9-15(16)17-10-19(23-12(2)22-17)27-14(4)21-13(3)25-27/h5-8,10,15-16H,9H2,1-4H3.
What are the key properties of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-methylimidazo[1,2-a]pyridine?
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-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]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 90157072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).