2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

C27H20ClN5O — CID 155675530

IUPAC2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(C)n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(Cl)n2)n1
InChIInChI=1S/C27H20ClN5O/c1-17-13-18(2)33(31-17)27-16-20(15-25(28)30-27)34-19-10-11-22-21-7-3-4-8-23(21)32(24(22)14-19)26-9-5-6-12-29-26/h3-16H,1-2H3
InChIKeyYEAVNHHUGGHGKT-UHFFFAOYSA-N
MW465.94 g/mol
LogP6.82
Rot. Bonds4

About 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (PubChem CID 155675530) has the molecular formula C27H20ClN5O and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
PubChem CID155675530
Molecular FormulaC27H20ClN5O
Molecular Weight465.94 g/mol
Exact Mass465.14
IUPAC Name2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESCc1cc(C)n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(Cl)n2)n1
InChIInChI=1S/C27H20ClN5O/c1-17-13-18(2)33(31-17)27-16-20(15-25(28)30-27)34-19-10-11-22-21-7-3-4-8-23(21)32(24(22)14-19)26-9-5-6-12-29-26/h3-16H,1-2H3
InChIKeyYEAVNHHUGGHGKT-UHFFFAOYSA-N
XLogP6.82
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (CID 155675530) is 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is Cc1cc(C)n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(Cl)n2)n1.
What is the InChIKey of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is YEAVNHHUGGHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN5O/c1-17-13-18(2)33(31-17)27-16-20(15-25(28)30-27)34-19-10-11-22-21-7-3-4-8-23(21)32(24(22)14-19)26-9-5-6-12-29-26/h3-16H,1-2H3.
What are the key properties of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 465.94 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155675530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).