4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine

C36H31FN4O — CID 118655266

IUPAC4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1cc2c(-c3ccnc(N4CCOCC4)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F
InChIInChI=1S/C36H31FN4O/c1-26-23-31-33(25-32(26)37)41(39-35(31)27-17-18-38-34(24-27)40-19-21-42-22-20-40)36(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-18,23-25H,19-22H2,1H3
InChIKeyWEXRIFURHQLINR-UHFFFAOYSA-N
MW554.67 g/mol
LogP7.22
Rot. Bonds6

About 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine

4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 118655266) has the molecular formula C36H31FN4O and a molecular weight of 554.67 g/mol. Its IUPAC name is 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
PubChem CID118655266
Molecular FormulaC36H31FN4O
Molecular Weight554.67 g/mol
Exact Mass554.25
IUPAC Name4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1cc2c(-c3ccnc(N4CCOCC4)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F
InChIInChI=1S/C36H31FN4O/c1-26-23-31-33(25-32(26)37)41(39-35(31)27-17-18-38-34(24-27)40-19-21-42-22-20-40)36(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-18,23-25H,19-22H2,1H3
InChIKeyWEXRIFURHQLINR-UHFFFAOYSA-N
XLogP7.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (CID 118655266) is 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is Cc1cc2c(-c3ccnc(N4CCOCC4)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F.
What is the InChIKey of 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is WEXRIFURHQLINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31FN4O/c1-26-23-31-33(25-32(26)37)41(39-35(31)27-17-18-38-34(24-27)40-19-21-42-22-20-40)36(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-18,23-25H,19-22H2,1H3.
What are the key properties of 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 554.67 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 118655266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).