4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C22H23FN6O — CID 139406078

IUPAC4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1cc(-c2cc(N3CCOCC3C)nc(-c3cc(F)cc4[nH]ccc34)n2)n(C)n1
InChIInChI=1S/C22H23FN6O/c1-13-8-20(28(3)27-13)19-11-21(29-6-7-30-12-14(29)2)26-22(25-19)17-9-15(23)10-18-16(17)4-5-24-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3
InChIKeyYJFUZVDLTGMGSG-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.70
Rot. Bonds3

About 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 139406078) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID139406078
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1cc(-c2cc(N3CCOCC3C)nc(-c3cc(F)cc4[nH]ccc34)n2)n(C)n1
InChIInChI=1S/C22H23FN6O/c1-13-8-20(28(3)27-13)19-11-21(29-6-7-30-12-14(29)2)26-22(25-19)17-9-15(23)10-18-16(17)4-5-24-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3
InChIKeyYJFUZVDLTGMGSG-UHFFFAOYSA-N
XLogP3.70
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 139406078) is 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is Cc1cc(-c2cc(N3CCOCC3C)nc(-c3cc(F)cc4[nH]ccc34)n2)n(C)n1.
What is the InChIKey of 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is YJFUZVDLTGMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-13-8-20(28(3)27-13)19-11-21(29-6-7-30-12-14(29)2)26-22(25-19)17-9-15(23)10-18-16(17)4-5-24-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3.
What are the key properties of 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?
4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 406.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-dimethylpyrazol-3-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 139406078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).