2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile

C35H21FN6O — CID 153412886

IUPAC2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
SMILESCc1cc(C#N)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C#N)c1
InChIInChI=1S/C35H21FN6O/c1-22-13-23(18-37)35(24(14-22)19-38)25-20-40-41(21-25)27-5-4-6-28(16-27)43-29-9-10-31-30-7-2-3-8-32(30)42(33(31)17-29)34-15-26(36)11-12-39-34/h2-17,20-21H,1H3
InChIKeyMVXNLYXWCPRDEQ-UHFFFAOYSA-N
MW560.59 g/mol
LogP8.01
Rot. Bonds5

About 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile

2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile (PubChem CID 153412886) has the molecular formula C35H21FN6O and a molecular weight of 560.59 g/mol. Its IUPAC name is 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
PubChem CID153412886
Molecular FormulaC35H21FN6O
Molecular Weight560.59 g/mol
Exact Mass560.18
IUPAC Name2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
SMILESCc1cc(C#N)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C#N)c1
InChIInChI=1S/C35H21FN6O/c1-22-13-23(18-37)35(24(14-22)19-38)25-20-40-41(21-25)27-5-4-6-28(16-27)43-29-9-10-31-30-7-2-3-8-32(30)42(33(31)17-29)34-15-26(36)11-12-39-34/h2-17,20-21H,1H3
InChIKeyMVXNLYXWCPRDEQ-UHFFFAOYSA-N
XLogP8.01
TPSA92.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.59
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-Fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carbonitrile
CID 162672659
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
US10954240, Example 37
CID 118930227
US10023570, Example 508
CID 126752989
US12011444, Example 309
CID 135333257
US12011444, Example 977
CID 141525160
US12011444, Example 981
CID 156760014
US12011444, Example 308
CID 156760060
US12011444, Example 457
CID 156760102
2-[3-[4-[1-(4-Fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propoxy]benzonitrile
CID 10152770
1-Cyclobutyl-2-[4-[(2,5-dimethylpyrazol-3-yl)-methylamino]phenyl]-6-(2-fluoroethoxy)indole-3-carbonitrile
CID 59030419

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile (CID 153412886) is 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile is Cc1cc(C#N)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(C#N)c1.
What is the InChIKey of 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?
The InChIKey is MVXNLYXWCPRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21FN6O/c1-22-13-23(18-37)35(24(14-22)19-38)25-20-40-41(21-25)27-5-4-6-28(16-27)43-29-9-10-31-30-7-2-3-8-32(30)42(33(31)17-29)34-15-26(36)11-12-39-34/h2-17,20-21H,1H3.
What are the key properties of 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile?
2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile has a molecular weight of 560.59 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[9-(4-fluoro-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 153412886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).