2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

C36H27F3N4O — CID 153412820

IUPAC2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCc1cc(C)c(CF)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c1CF
InChIInChI=1S/C36H27F3N4O/c1-22-14-23(2)32(19-38)36(31(22)18-37)24-20-41-42(21-24)26-6-5-7-27(16-26)44-28-10-11-30-29-8-3-4-9-33(29)43(34(30)17-28)35-15-25(39)12-13-40-35/h3-17,20-21H,18-19H2,1-2H3
InChIKeyIBJRXDIRVUSSMO-UHFFFAOYSA-N
MW588.63 g/mol
LogP9.52
Rot. Bonds7

About 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole

2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (PubChem CID 153412820) has the molecular formula C36H27F3N4O and a molecular weight of 588.63 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
PubChem CID153412820
Molecular FormulaC36H27F3N4O
Molecular Weight588.63 g/mol
Exact Mass588.21
IUPAC Name2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
SMILESCc1cc(C)c(CF)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c1CF
InChIInChI=1S/C36H27F3N4O/c1-22-14-23(2)32(19-38)36(31(22)18-37)24-20-41-42(21-24)26-6-5-7-27(16-26)44-28-10-11-30-29-8-3-4-9-33(29)43(34(30)17-28)35-15-25(39)12-13-40-35/h3-17,20-21H,18-19H2,1-2H3
InChIKeyIBJRXDIRVUSSMO-UHFFFAOYSA-N
XLogP9.52
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.63
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole with MolForge

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Related Compounds

6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162659515
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
US11247990, Example 384
CID 138715017
US10266548, Example 35-1
CID 71554405
US10954240, Example 23
CID 118930221
US10954240, Example 24
CID 118930222
US10954240, Example 35
CID 118930223
US10954240, Example 37
CID 118930227
US10954240, Example 34
CID 118930235
US10954240, Example 38
CID 118930239

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole (CID 153412820) is 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is Cc1cc(C)c(CF)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c1CF.
What is the InChIKey of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
The InChIKey is IBJRXDIRVUSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27F3N4O/c1-22-14-23(2)32(19-38)36(31(22)18-37)24-20-41-42(21-24)26-6-5-7-27(16-26)44-28-10-11-30-29-8-3-4-9-33(29)43(34(30)17-28)35-15-25(39)12-13-40-35/h3-17,20-21H,18-19H2,1-2H3.
What are the key properties of 2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole?
2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole has a molecular weight of 588.63 g/mol, XLogP of 9.52, 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)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole is sourced from PubChem (CID 153412820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).