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

C20H20N6O2 — CID 118479756

IUPAC(1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc4ccccc4n3C)CCO2)n2ncnc2n1
InChIInChI=1S/C20H20N6O2/c1-13-9-16(26-20(23-13)21-12-22-26)18-11-25(7-8-28-18)19(27)17-10-14-5-3-4-6-15(14)24(17)2/h3-6,9-10,12,18H,7-8,11H2,1-2H3
InChIKeyQQJMEXKDIZDKER-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.14
Rot. Bonds2

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

(1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118479756) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118479756
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name(1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cc4ccccc4n3C)CCO2)n2ncnc2n1
InChIInChI=1S/C20H20N6O2/c1-13-9-16(26-20(23-13)21-12-22-26)18-11-25(7-8-28-18)19(27)17-10-14-5-3-4-6-15(14)24(17)2/h3-6,9-10,12,18H,7-8,11H2,1-2H3
InChIKeyQQJMEXKDIZDKER-UHFFFAOYSA-N
XLogP2.14
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118479756) is (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3cc4ccccc4n3C)CCO2)n2ncnc2n1.
What is the InChIKey of (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is QQJMEXKDIZDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-9-16(26-20(23-13)21-12-22-26)18-11-25(7-8-28-18)19(27)17-10-14-5-3-4-6-15(14)24(17)2/h3-6,9-10,12,18H,7-8,11H2,1-2H3.
What are the key properties of (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 376.42 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118479756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).