2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole

C28H20N4O — CID 157488582

IUPAC2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
SMILESCc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cnccn5)c4c3)c2)nc1
InChIInChI=1S/C28H20N4O/c1-19-9-12-28(31-17-19)33-22-6-4-5-20(15-22)21-10-11-24-23-7-2-3-8-25(23)32(26(24)16-21)27-18-29-13-14-30-27/h2-18H,1H3
InChIKeyUMQJKPOQXYSARL-UHFFFAOYSA-N
MW428.50 g/mol
LogP6.74
Rot. Bonds4

About 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole

2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole (PubChem CID 157488582) has the molecular formula C28H20N4O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
PubChem CID157488582
Molecular FormulaC28H20N4O
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Name2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
SMILESCc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cnccn5)c4c3)c2)nc1
InChIInChI=1S/C28H20N4O/c1-19-9-12-28(31-17-19)33-22-6-4-5-20(15-22)21-10-11-24-23-7-2-3-8-25(23)32(26(24)16-21)27-18-29-13-14-30-27/h2-18H,1H3
InChIKeyUMQJKPOQXYSARL-UHFFFAOYSA-N
XLogP6.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
CID 159430462
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
9-(4-ethyl-2-pyridinyl)-2-[3-[(6-ethyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421163
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole?
The IUPAC name of 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole (CID 157488582) is 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole?
The canonical SMILES for 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole is Cc1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5cnccn5)c4c3)c2)nc1.
What is the InChIKey of 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole?
The InChIKey is UMQJKPOQXYSARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O/c1-19-9-12-28(31-17-19)33-22-6-4-5-20(15-22)21-10-11-24-23-7-2-3-8-25(23)32(26(24)16-21)27-18-29-13-14-30-27/h2-18H,1H3.
What are the key properties of 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole?
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole has a molecular weight of 428.50 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole is sourced from PubChem (CID 157488582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).