6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine

C41H30FN5O — CID 22031149

IUPAC6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C41H30FN5O/c1-48-39-19-11-18-36(44-39)37-26-43-38-25-22-30(27-46(37)38)35-28-47(45-40(35)29-20-23-34(42)24-21-29)41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33/h2-28H,1H3
InChIKeyMAPMMIRRMIOTEA-UHFFFAOYSA-N
MW627.72 g/mol
LogP8.91
Rot. Bonds8

About 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine

6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 22031149) has the molecular formula C41H30FN5O and a molecular weight of 627.72 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID22031149
Molecular FormulaC41H30FN5O
Molecular Weight627.72 g/mol
Exact Mass627.24
IUPAC Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine
SMILESCOc1cccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)n1
InChIInChI=1S/C41H30FN5O/c1-48-39-19-11-18-36(44-39)37-26-43-38-25-22-30(27-46(37)38)35-28-47(45-40(35)29-20-23-34(42)24-21-29)41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33/h2-28H,1H3
InChIKeyMAPMMIRRMIOTEA-UHFFFAOYSA-N
XLogP8.91
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.72
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine (CID 22031149) is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine is COc1cccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)n1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is MAPMMIRRMIOTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30FN5O/c1-48-39-19-11-18-36(44-39)37-26-43-38-25-22-30(27-46(37)38)35-28-47(45-40(35)29-20-23-34(42)24-21-29)41(31-12-5-2-6-13-31,32-14-7-3-8-15-32)33-16-9-4-10-17-33/h2-28H,1H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine?
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 627.72 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(6-methoxy-2-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).