3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide

C20H22N8O — CID 47037193

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1ccnc(-n2ccnc2C)c1
InChIInChI=1S/C20H22N8O/c1-13-17(14(2)28-20(26-13)24-12-25-28)4-5-19(29)23-11-16-6-7-22-18(10-16)27-9-8-21-15(27)3/h6-10,12H,4-5,11H2,1-3H3,(H,23,29)
InChIKeyYSQLHZXCLFCIEK-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.88
Rot. Bonds6

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide (PubChem CID 47037193) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
PubChem CID47037193
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1ccnc(-n2ccnc2C)c1
InChIInChI=1S/C20H22N8O/c1-13-17(14(2)28-20(26-13)24-12-25-28)4-5-19(29)23-11-16-6-7-22-18(10-16)27-9-8-21-15(27)3/h6-10,12H,4-5,11H2,1-3H3,(H,23,29)
InChIKeyYSQLHZXCLFCIEK-UHFFFAOYSA-N
XLogP1.88
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide (CID 47037193) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccnc(-n2ccnc2C)c1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
The InChIKey is YSQLHZXCLFCIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-13-17(14(2)28-20(26-13)24-12-25-28)4-5-19(29)23-11-16-6-7-22-18(10-16)27-9-8-21-15(27)3/h6-10,12H,4-5,11H2,1-3H3,(H,23,29).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide has a molecular weight of 390.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 47037193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).