imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol

C41H29N5O — CID 155105078

IUPACimidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol
SMILESOC(c1cccc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)c1)(c1ccccc1-c1ccccc1)n1cnc2cccnc21
InChIInChI=1S/C41H29N5O/c47-41(46-27-43-37-22-11-24-42-39(37)46,36-21-9-4-16-31(36)28-12-2-1-3-13-28)30-15-10-14-29(26-30)40(38-23-25-44-45-38)34-19-7-5-17-32(34)33-18-6-8-20-35(33)40/h1-27,47H,(H,44,45)
InChIKeyZXEPJEZCECROEY-UHFFFAOYSA-N
MW607.72 g/mol
LogP7.93
Rot. Bonds6

About imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol

imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol (PubChem CID 155105078) has the molecular formula C41H29N5O and a molecular weight of 607.72 g/mol. Its IUPAC name is imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol.

Molecular Properties

Compound Nameimidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol
PubChem CID155105078
Molecular FormulaC41H29N5O
Molecular Weight607.72 g/mol
Exact Mass607.24
IUPAC Nameimidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol
SMILESOC(c1cccc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)c1)(c1ccccc1-c1ccccc1)n1cnc2cccnc21
InChIInChI=1S/C41H29N5O/c47-41(46-27-43-37-22-11-24-42-39(37)46,36-21-9-4-16-31(36)28-12-2-1-3-13-28)30-15-10-14-29(26-30)40(38-23-25-44-45-38)34-19-7-5-17-32(34)33-18-6-8-20-35(33)40/h1-27,47H,(H,44,45)
InChIKeyZXEPJEZCECROEY-UHFFFAOYSA-N
XLogP7.93
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol?
The IUPAC name of imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol (CID 155105078) is imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol.
What is the SMILES notation for imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol?
The canonical SMILES for imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol is OC(c1cccc(C2(c3ccn[nH]3)c3ccccc3-c3ccccc32)c1)(c1ccccc1-c1ccccc1)n1cnc2cccnc21.
What is the InChIKey of imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol?
The InChIKey is ZXEPJEZCECROEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5O/c47-41(46-27-43-37-22-11-24-42-39(37)46,36-21-9-4-16-31(36)28-12-2-1-3-13-28)30-15-10-14-29(26-30)40(38-23-25-44-45-38)34-19-7-5-17-32(34)33-18-6-8-20-35(33)40/h1-27,47H,(H,44,45).
What are the key properties of imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol?
imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol has a molecular weight of 607.72 g/mol, XLogP of 7.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-b]pyridin-3-yl-(2-phenylphenyl)-[3-[9-(1H-pyrazol-5-yl)fluoren-9-yl]phenyl]methanol is sourced from PubChem (CID 155105078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).