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

C21H18FN5O2 — CID 118471111

IUPAC(6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4cc(F)ccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C21H18FN5O2/c1-13-8-18(27-21(25-13)23-12-24-27)19-11-26(6-7-29-19)20(28)16-3-2-15-10-17(22)5-4-14(15)9-16/h2-5,8-10,12,19H,6-7,11H2,1H3
InChIKeyAWTWLTUXANAPEK-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.94
Rot. Bonds2

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

(6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471111) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471111
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name(6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4cc(F)ccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C21H18FN5O2/c1-13-8-18(27-21(25-13)23-12-24-27)19-11-26(6-7-29-19)20(28)16-3-2-15-10-17(22)5-4-14(15)9-16/h2-5,8-10,12,19H,6-7,11H2,1H3
InChIKeyAWTWLTUXANAPEK-UHFFFAOYSA-N
XLogP2.94
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471111) is (6-fluoronaphthalen-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 (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc4cc(F)ccc4c3)CCO2)n2ncnc2n1.
What is the InChIKey of (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is AWTWLTUXANAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-13-8-18(27-21(25-13)23-12-24-27)19-11-26(6-7-29-19)20(28)16-3-2-15-10-17(22)5-4-14(15)9-16/h2-5,8-10,12,19H,6-7,11H2,1H3.
What are the key properties of (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 391.41 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoronaphthalen-2-yl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).