2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

C34H23F3N4O — CID 153412802

IUPAC2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESFCc1cccc(CF)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1
InChIInChI=1S/C34H23F3N4O/c35-18-22-5-3-6-23(19-36)34(22)24-20-39-40(21-24)26-7-4-8-27(16-26)42-28-11-12-30-29-9-1-2-10-31(29)41(32(30)17-28)33-15-25(37)13-14-38-33/h1-17,20-21H,18-19H2
InChIKeyQTUZOOUUBWQWEP-UHFFFAOYSA-N
MW560.58 g/mol
LogP8.90
Rot. Bonds7

About 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153412802) has the molecular formula C34H23F3N4O and a molecular weight of 560.58 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153412802
Molecular FormulaC34H23F3N4O
Molecular Weight560.58 g/mol
Exact Mass560.18
IUPAC Name2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESFCc1cccc(CF)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1
InChIInChI=1S/C34H23F3N4O/c35-18-22-5-3-6-23(19-36)34(22)24-20-39-40(21-24)26-7-4-8-27(16-26)42-28-11-12-30-29-9-1-2-10-31(29)41(32(30)17-28)33-15-25(37)13-14-38-33/h1-17,20-21H,18-19H2
InChIKeyQTUZOOUUBWQWEP-UHFFFAOYSA-N
XLogP8.90
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10457677, Example 14
CID 122589424
US10457677, Example 24
CID 122589434
US10457677, Example 16
CID 122589436
US10457677, Example 11
CID 134325583
6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162659515
(3S)-1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 162661880
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
6-Methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
CID 121224994
US10457677, Example 1
CID 122589389
US10457677, Example 50
CID 134325592
US11247990, Example 384
CID 138715017

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153412802) is 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is FCc1cccc(CF)c1-c1cnn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(F)ccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is QTUZOOUUBWQWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F3N4O/c35-18-22-5-3-6-23(19-36)34(22)24-20-39-40(21-24)26-7-4-8-27(16-26)42-28-11-12-30-29-9-1-2-10-31(29)41(32(30)17-28)33-15-25(37)13-14-38-33/h1-17,20-21H,18-19H2.
What are the key properties of 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 560.58 g/mol, XLogP of 8.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2,6-bis(fluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153412802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).