9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole

C32H21FN4O — CID 86343413

IUPAC9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole
SMILESFc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6ccccc6)cn5)c4)cc32)c1
InChIInChI=1S/C32H21FN4O/c33-24-15-16-34-32(17-24)37-30-12-5-4-11-28(30)29-14-13-27(19-31(29)37)38-26-10-6-9-25(18-26)36-21-23(20-35-36)22-7-2-1-3-8-22/h1-21H
InChIKeyPFMCLHPUNJVLHU-UHFFFAOYSA-N
MW496.55 g/mol
LogP7.96
Rot. Bonds5

About 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole

9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole (PubChem CID 86343413) has the molecular formula C32H21FN4O and a molecular weight of 496.55 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole
PubChem CID86343413
Molecular FormulaC32H21FN4O
Molecular Weight496.55 g/mol
Exact Mass496.17
IUPAC Name9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole
SMILESFc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6ccccc6)cn5)c4)cc32)c1
InChIInChI=1S/C32H21FN4O/c33-24-15-16-34-32(17-24)37-30-12-5-4-11-28(30)29-14-13-27(19-31(29)37)38-26-10-6-9-25(18-26)36-21-23(20-35-36)22-7-2-1-3-8-22/h1-21H
InChIKeyPFMCLHPUNJVLHU-UHFFFAOYSA-N
XLogP7.96
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.55
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
(1E)-1-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91068408
(1S,3S)-N1-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 11211551
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
US10457677, Example 14
CID 122589424
US10457677, Example 24
CID 122589434
US10457677, Example 16
CID 122589436
7-Ethyl-4-[4-fluoro-3-[(2-methyl-4-pyridinyl)oxy]phenyl]imidazo[4,5-c]pyridazine
CID 155528411
9-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]triazol-4-yl]methyl]-7-methoxy-1-methylpyrido[3,4-b]indole
CID 155539010
9-[[1-[(E)-3-(3-fluorophenyl)prop-2-enyl]triazol-4-yl]methyl]-7-methoxy-1-methylpyrido[3,4-b]indole
CID 155545926
6-(2-Fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine
CID 162643523

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole (CID 86343413) is 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole is Fc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6ccccc6)cn5)c4)cc32)c1.
What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole?
The InChIKey is PFMCLHPUNJVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21FN4O/c33-24-15-16-34-32(17-24)37-30-12-5-4-11-28(30)29-14-13-27(19-31(29)37)38-26-10-6-9-25(18-26)36-21-23(20-35-36)22-7-2-1-3-8-22/h1-21H.
What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole?
9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole has a molecular weight of 496.55 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 86343413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).