2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate

C32H30F2N2O2 — CID 58914255

IUPAC2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate
SMILESCCC(CC(C)C(=O)OCCc1ccc(-c2ccc(F)cc2F)nc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C32H30F2N2O2/c1-3-24(36-30-10-6-4-8-25(30)26-9-5-7-11-31(26)36)18-21(2)32(37)38-17-16-22-12-15-29(35-20-22)27-14-13-23(33)19-28(27)34/h4-15,19-21,24H,3,16-18H2,1-2H3
InChIKeySMAYYQLXQMDYMI-UHFFFAOYSA-N
MW512.60 g/mol
LogP7.90
Rot. Bonds9

About 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate

2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate (PubChem CID 58914255) has the molecular formula C32H30F2N2O2 and a molecular weight of 512.60 g/mol. Its IUPAC name is 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate.

Molecular Properties

Compound Name2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate
PubChem CID58914255
Molecular FormulaC32H30F2N2O2
Molecular Weight512.60 g/mol
Exact Mass512.23
IUPAC Name2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate
SMILESCCC(CC(C)C(=O)OCCc1ccc(-c2ccc(F)cc2F)nc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C32H30F2N2O2/c1-3-24(36-30-10-6-4-8-25(30)26-9-5-7-11-31(26)36)18-21(2)32(37)38-17-16-22-12-15-29(35-20-22)27-14-13-23(33)19-28(27)34/h4-15,19-21,24H,3,16-18H2,1-2H3
InChIKeySMAYYQLXQMDYMI-UHFFFAOYSA-N
XLogP7.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
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ethyl 4-benzyl-1-{[1-(2-methoxy-2-oxoethyl)-1H-indol-3-yl]methyl}piperidine-4-carboxylate
CID 16191392
ethyl 4-(cyclopropylmethyl)-1-[(1-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
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methyl 4-[(5R,6R,9R,13S)-7-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanoate
CID 145957042
ethyl 2-(1-octyl-5-m-tolyl-1H-indol-3-yl)acetate
CID 49780130
{6-Fluoro-9-[3-(5-pyridin-3-yl-pentyl)-benzyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl}-acetic acid
CID 44385951
Methyl 2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetate
CID 44209218
[4-[2-(7-Indol-1-ylheptoxy)-2-oxoethyl]phenyl]-trimethylazanium iodide
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[4-[2-(6-Indol-1-ylhexoxy)-2-oxoethyl]phenyl]-trimethylazanium iodide
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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate?
The IUPAC name of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate (CID 58914255) is 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate.
What is the SMILES notation for 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate?
The canonical SMILES for 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate is CCC(CC(C)C(=O)OCCc1ccc(-c2ccc(F)cc2F)nc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate?
The InChIKey is SMAYYQLXQMDYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N2O2/c1-3-24(36-30-10-6-4-8-25(30)26-9-5-7-11-31(26)36)18-21(2)32(37)38-17-16-22-12-15-29(35-20-22)27-14-13-23(33)19-28(27)34/h4-15,19-21,24H,3,16-18H2,1-2H3.
What are the key properties of 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate?
2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate has a molecular weight of 512.60 g/mol, XLogP of 7.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl 4-carbazol-9-yl-2-methylhexanoate is sourced from PubChem (CID 58914255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).