isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C20H18N6O2 — CID 118471091

IUPACisoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4cnccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H18N6O2/c1-13-8-17(26-20(24-13)22-12-23-26)18-11-25(6-7-28-18)19(27)15-2-3-16-10-21-5-4-14(16)9-15/h2-5,8-10,12,18H,6-7,11H2,1H3
InChIKeyRUJJETQTLHFRMR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.19
Rot. Bonds2

About isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471091) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471091
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Nameisoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4cnccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H18N6O2/c1-13-8-17(26-20(24-13)22-12-23-26)18-11-25(6-7-28-18)19(27)15-2-3-16-10-21-5-4-14(16)9-15/h2-5,8-10,12,18H,6-7,11H2,1H3
InChIKeyRUJJETQTLHFRMR-UHFFFAOYSA-N
XLogP2.19
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471091) is isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc4cnccc4c3)CCO2)n2ncnc2n1.
What is the InChIKey of isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is RUJJETQTLHFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-8-17(26-20(24-13)22-12-23-26)18-11-25(6-7-28-18)19(27)15-2-3-16-10-21-5-4-14(16)9-15/h2-5,8-10,12,18H,6-7,11H2,1H3.
What are the key properties of isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-6-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).