3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine

C28H19N5 — CID 155105061

IUPAC3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
SMILESc1cc(-n2cnc3cccnc32)cc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C28H19N5/c1-3-11-23-21(9-1)22-10-2-4-12-24(22)28(23,26-14-16-31-32-26)19-7-5-8-20(17-19)33-18-30-25-13-6-15-29-27(25)33/h1-18H,(H,31,32)
InChIKeyXFIGIDLOTKZUHG-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.51
Rot. Bonds3

About 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine

3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 155105061) has the molecular formula C28H19N5 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
PubChem CID155105061
Molecular FormulaC28H19N5
Molecular Weight425.50 g/mol
Exact Mass425.16
IUPAC Name3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine
SMILESc1cc(-n2cnc3cccnc32)cc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C28H19N5/c1-3-11-23-21(9-1)22-10-2-4-12-24(22)28(23,26-14-16-31-32-26)19-7-5-8-20(17-19)33-18-30-25-13-6-15-29-27(25)33/h1-18H,(H,31,32)
InChIKeyXFIGIDLOTKZUHG-UHFFFAOYSA-N
XLogP5.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazo[4,5-b]pyridine
CID 155609655
imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol
CID 155105078
1-methyl-3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]-2H-imidazo[4,5-b]pyridine
CID 155609581
9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-9-(1H-pyrazol-5-yl)indeno[2,1-b]pyridine
CID 155609606
1,4,5-trimethyl-3-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]-2H-imidazole
CID 155609501
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850
9-(1H-pyrazol-5-yl)-9-[3-(3,4,5-trimethylimidazole-1,3-diium-1-yl)phenyl]indeno[2,1-b]pyridine
CID 176537328
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
1-[9-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]fluoren-9-yl]imidazol-1-ium
CID 176537326
9-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-9-[3-[9-(1H-pyrazol-5-yl)indeno[2,1-c]pyridin-9-yl]phenyl]indeno[2,1-c]pyridine
CID 155609553
8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155609528
8-(1H-pyrazol-5-yl)-8-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenyl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155609646

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine (CID 155105061) is 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine is c1cc(-n2cnc3cccnc32)cc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine?
The InChIKey is XFIGIDLOTKZUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5/c1-3-11-23-21(9-1)22-10-2-4-12-24(22)28(23,26-14-16-31-32-26)19-7-5-8-20(17-19)33-18-30-25-13-6-15-29-27(25)33/h1-18H,(H,31,32).
What are the key properties of 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine?
3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 425.50 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 155105061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).