6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile

C22H24N8O — CID 11464180

IUPAC6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC(C)C)nc12
InChIInChI=1S/C22H24N8O/c1-4-6-17-19(25-14-30-21(17)27-20(28-30)13-31-15(2)3)12-29-10-9-24-22(29)18-8-5-7-16(11-23)26-18/h5,7-10,14-15H,4,6,12-13H2,1-3H3
InChIKeyPDSVIKGHQBELEO-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.18
Rot. Bonds8

About 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile

6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile (PubChem CID 11464180) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile
PubChem CID11464180
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC(C)C)nc12
InChIInChI=1S/C22H24N8O/c1-4-6-17-19(25-14-30-21(17)27-20(28-30)13-31-15(2)3)12-29-10-9-24-22(29)18-8-5-7-16(11-23)26-18/h5,7-10,14-15H,4,6,12-13H2,1-3H3
InChIKeyPDSVIKGHQBELEO-UHFFFAOYSA-N
XLogP3.18
TPSA106.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile (CID 11464180) is 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile is CCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2nc(COC(C)C)nc12.
What is the InChIKey of 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is PDSVIKGHQBELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-4-6-17-19(25-14-30-21(17)27-20(28-30)13-31-15(2)3)12-29-10-9-24-22(29)18-8-5-7-16(11-23)26-18/h5,7-10,14-15H,4,6,12-13H2,1-3H3.
What are the key properties of 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile?
6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 416.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[2-(propan-2-yloxymethyl)-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]imidazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11464180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).