6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

C40H27F2N5 — CID 22031398

IUPAC6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESFc1cccc(F)c1-c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1
InChIInChI=1S/C40H27F2N5/c41-33-19-12-20-34(42)38(33)39-32(28-22-23-37-44-25-36(46(37)26-28)35-21-10-11-24-43-35)27-47(45-39)40(29-13-4-1-5-14-29,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-27H
InChIKeyKZOKYYBMEDLVTE-UHFFFAOYSA-N
MW615.69 g/mol
LogP9.05
Rot. Bonds7

About 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine

6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (PubChem CID 22031398) has the molecular formula C40H27F2N5 and a molecular weight of 615.69 g/mol. Its IUPAC name is 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
PubChem CID22031398
Molecular FormulaC40H27F2N5
Molecular Weight615.69 g/mol
Exact Mass615.22
IUPAC Name6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESFc1cccc(F)c1-c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1
InChIInChI=1S/C40H27F2N5/c41-33-19-12-20-34(42)38(33)39-32(28-22-23-37-44-25-36(46(37)26-28)35-21-10-11-24-43-35)27-47(45-39)40(29-13-4-1-5-14-29,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-27H
InChIKeyKZOKYYBMEDLVTE-UHFFFAOYSA-N
XLogP9.05
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 59.05
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 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (CID 22031398) is 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is Fc1cccc(F)c1-c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccccn3)n2c1.
What is the InChIKey of 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The InChIKey is KZOKYYBMEDLVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27F2N5/c41-33-19-12-20-34(42)38(33)39-32(28-22-23-37-44-25-36(46(37)26-28)35-21-10-11-24-43-35)27-47(45-39)40(29-13-4-1-5-14-29,30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-27H.
What are the key properties of 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine has a molecular weight of 615.69 g/mol, XLogP of 9.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-difluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22031398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).