(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C18H23N7O2 — CID 119070418

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(C(O)c4nccn4C)CC3)nc2n1
InChIInChI=1S/C18H23N7O2/c1-11-10-12(2)25-18(20-11)21-15(22-25)17(27)24-7-4-13(5-8-24)14(26)16-19-6-9-23(16)3/h6,9-10,13-14,26H,4-5,7-8H2,1-3H3
InChIKeyJDYYKLYLVPLVCI-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.06
Rot. Bonds3

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 119070418) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID119070418
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC(C(O)c4nccn4C)CC3)nc2n1
InChIInChI=1S/C18H23N7O2/c1-11-10-12(2)25-18(20-11)21-15(22-25)17(27)24-7-4-13(5-8-24)14(26)16-19-6-9-23(16)3/h6,9-10,13-14,26H,4-5,7-8H2,1-3H3
InChIKeyJDYYKLYLVPLVCI-UHFFFAOYSA-N
XLogP1.06
TPSA101.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 119070418) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCC(C(O)c4nccn4C)CC3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JDYYKLYLVPLVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11-10-12(2)25-18(20-11)21-15(22-25)17(27)24-7-4-13(5-8-24)14(26)16-19-6-9-23(16)3/h6,9-10,13-14,26H,4-5,7-8H2,1-3H3.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 119070418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).