4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine

C20H20FN7O — CID 165437045

IUPAC4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine
SMILESCc1nncn1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOCC2C)n1
InChIInChI=1S/C20H20FN7O/c1-12-10-29-6-5-27(12)20-24-18(9-19(25-20)28-11-23-26-13(28)2)16-7-14(21)8-17-15(16)3-4-22-17/h3-4,7-9,11-12,22H,5-6,10H2,1-2H3
InChIKeyMBUSFWVGDDQTPE-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.88
Rot. Bonds3

About 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine

4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine (PubChem CID 165437045) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine
PubChem CID165437045
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine
SMILESCc1nncn1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOCC2C)n1
InChIInChI=1S/C20H20FN7O/c1-12-10-29-6-5-27(12)20-24-18(9-19(25-20)28-11-23-26-13(28)2)16-7-14(21)8-17-15(16)3-4-22-17/h3-4,7-9,11-12,22H,5-6,10H2,1-2H3
InChIKeyMBUSFWVGDDQTPE-UHFFFAOYSA-N
XLogP2.88
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine (CID 165437045) is 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine is Cc1nncn1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOCC2C)n1.
What is the InChIKey of 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine?
The InChIKey is MBUSFWVGDDQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-12-10-29-6-5-27(12)20-24-18(9-19(25-20)28-11-23-26-13(28)2)16-7-14(21)8-17-15(16)3-4-22-17/h3-4,7-9,11-12,22H,5-6,10H2,1-2H3.
What are the key properties of 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine?
4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine has a molecular weight of 393.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-indol-4-yl)-6-(3-methyl-1,2,4-triazol-4-yl)pyrimidin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 165437045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).