7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile

C35H24FN5O — CID 155635897

IUPAC7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
SMILESCc1nn(-c2ccc(F)c(Oc3ccc4c5cc(C#N)ccc5n(-c5ccccn5)c4c3)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C35H24FN5O/c1-22-35(25-8-4-3-5-9-25)23(2)41(39-22)26-12-15-30(36)33(19-26)42-27-13-14-28-29-18-24(21-37)11-16-31(29)40(32(28)20-27)34-10-6-7-17-38-34/h3-20H,1-2H3
InChIKeyWXQRPADFDYHMMD-UHFFFAOYSA-N
MW549.61 g/mol
LogP8.45
Rot. Bonds5

About 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile

7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile (PubChem CID 155635897) has the molecular formula C35H24FN5O and a molecular weight of 549.61 g/mol. Its IUPAC name is 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
PubChem CID155635897
Molecular FormulaC35H24FN5O
Molecular Weight549.61 g/mol
Exact Mass549.20
IUPAC Name7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
SMILESCc1nn(-c2ccc(F)c(Oc3ccc4c5cc(C#N)ccc5n(-c5ccccn5)c4c3)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C35H24FN5O/c1-22-35(25-8-4-3-5-9-25)23(2)41(39-22)26-12-15-30(36)33(19-26)42-27-13-14-28-29-18-24(21-37)11-16-31(29)40(32(28)20-27)34-10-6-7-17-38-34/h3-20H,1-2H3
InChIKeyWXQRPADFDYHMMD-UHFFFAOYSA-N
XLogP8.45
TPSA68.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.61
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-fluoro-2-pyridinyl)-6-phenylcarbazole
CID 153442105
6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153440759
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-propylcarbazole
CID 153441096
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)-6-methylcarbazole
CID 153440713
6-butyl-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153442220
2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-fluoro-9-(4-methyl-2-pyridinyl)carbazole
CID 153441616
6-butyl-9-(4-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153441138
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415395
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)-6-(trideuteriomethyl)carbazole
CID 153441766
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-hexyl-9-(4-pentyl-2-pyridinyl)carbazole
CID 153441368

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
The IUPAC name of 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile (CID 155635897) is 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
The canonical SMILES for 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile is Cc1nn(-c2ccc(F)c(Oc3ccc4c5cc(C#N)ccc5n(-c5ccccn5)c4c3)c2)c(C)c1-c1ccccc1.
What is the InChIKey of 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
The InChIKey is WXQRPADFDYHMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24FN5O/c1-22-35(25-8-4-3-5-9-25)23(2)41(39-22)26-12-15-30(36)33(19-26)42-27-13-14-28-29-18-24(21-37)11-16-31(29)40(32(28)20-27)34-10-6-7-17-38-34/h3-20H,1-2H3.
What are the key properties of 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile has a molecular weight of 549.61 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3,5-dimethyl-4-phenylpyrazol-1-yl)-2-fluorophenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 155635897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).