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'}

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

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

Launch Full Analysis

Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
4-(9-Methyl-7-pyridin-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)morpholine
CID 712798
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N,N-dimethylpyridin-2-amine
CID 10131654
N-[1-(3-Fluoro-benzyl)-1H-indazol-5-yl]-5-[morpholin-4-yliminomethyl]-pyrimidine-4,6-diamine
CID 24897277
6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 44606823
1-[4-[1-ethyl-4-[2-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888685
4-(4-(1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472857
4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400634

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).