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

C37H26F6N4O — CID 153412850

IUPAC2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)c4)cc32)c1
InChIInChI=1S/C37H26F6N4O/c1-22(2)23-15-16-44-34(17-23)47-32-12-4-3-9-28(32)29-14-13-27(19-33(29)47)48-26-8-5-7-25(18-26)46-21-24(20-45-46)35-30(36(38,39)40)10-6-11-31(35)37(41,42)43/h3-22H,1-2H3
InChIKeyWQGGWHJUWISXCT-UHFFFAOYSA-N
MW656.63 g/mol
LogP10.98
Rot. Bonds6

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

2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 153412850) has the molecular formula C37H26F6N4O and a molecular weight of 656.63 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID153412850
Molecular FormulaC37H26F6N4O
Molecular Weight656.63 g/mol
Exact Mass656.20
IUPAC Name2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)c4)cc32)c1
InChIInChI=1S/C37H26F6N4O/c1-22(2)23-15-16-44-34(17-23)47-32-12-4-3-9-28(32)29-14-13-27(19-33(29)47)48-26-8-5-7-25(18-26)46-21-24(20-45-46)35-30(36(38,39)40)10-6-11-31(35)37(41,42)43/h3-22H,1-2H3
InChIKeyWQGGWHJUWISXCT-UHFFFAOYSA-N
XLogP10.98
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.63
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-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
7-[5-[[2-(4,4-Difluoropiperidin-1-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304050
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(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 153412850) is 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(C(F)(F)F)cccc6C(F)(F)F)cn5)c4)cc32)c1.
What is the InChIKey of 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is WQGGWHJUWISXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F6N4O/c1-22(2)23-15-16-44-34(17-23)47-32-12-4-3-9-28(32)29-14-13-27(19-33(29)47)48-26-8-5-7-25(18-26)46-21-24(20-45-46)35-30(36(38,39)40)10-6-11-31(35)37(41,42)43/h3-22H,1-2H3.
What are the key properties of 2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 656.63 g/mol, XLogP of 10.98, 6 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(trifluoromethyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 153412850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).