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

C20H18N6O2 — CID 118471321

IUPACisoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4ccncc4c3)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)15-3-2-14-4-5-21-10-16(14)9-15/h2-5,8-10,12,18H,6-7,11H2,1H3
InChIKeyUCNAUOXETXTNLD-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.19
Rot. Bonds2

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

isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471321) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471321
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Nameisoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4ccncc4c3)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)15-3-2-14-4-5-21-10-16(14)9-15/h2-5,8-10,12,18H,6-7,11H2,1H3
InChIKeyUCNAUOXETXTNLD-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

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

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Related Compounds

[3-[5-(2-Methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 155516993
US11186582, Example 559
CID 118471111
US11186582, Example 546
CID 118471441
US11186582, Example 228
CID 118471505
US11186582, Example 320
CID 118479606
US11186582, Example 333
CID 118479614
US11186582, Example 323
CID 118479727
US11186582, Example 318
CID 118479739
US11186582, Example 332
CID 118479747
US11186582, Example 325
CID 126615631
US11186582, Example 216
CID 118470945
US11186582, Example 229
CID 118471176

Frequently Asked Questions

What is the IUPAC name of isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471321) is isoquinolin-7-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-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc4ccncc4c3)CCO2)n2ncnc2n1.
What is the InChIKey of isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is UCNAUOXETXTNLD-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)15-3-2-14-4-5-21-10-16(14)9-15/h2-5,8-10,12,18H,6-7,11H2,1H3.
What are the key properties of isoquinolin-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
isoquinolin-7-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-7-yl-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).