2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole

C25H16ClN5O — CID 155675529

IUPAC2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
SMILESClc1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-n2cccn2)n1
InChIInChI=1S/C25H16ClN5O/c26-23-15-18(16-25(29-23)30-13-5-12-28-30)32-17-9-10-20-19-6-1-2-7-21(19)31(22(20)14-17)24-8-3-4-11-27-24/h1-16H
InChIKeyHGZQXJDQXAXAEI-UHFFFAOYSA-N
MW437.89 g/mol
LogP6.21
Rot. Bonds4

About 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole

2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole (PubChem CID 155675529) has the molecular formula C25H16ClN5O and a molecular weight of 437.89 g/mol. Its IUPAC name is 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
PubChem CID155675529
Molecular FormulaC25H16ClN5O
Molecular Weight437.89 g/mol
Exact Mass437.10
IUPAC Name2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
SMILESClc1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-n2cccn2)n1
InChIInChI=1S/C25H16ClN5O/c26-23-15-18(16-25(29-23)30-13-5-12-28-30)32-17-9-10-20-19-6-1-2-7-21(19)31(22(20)14-17)24-8-3-4-11-27-24/h1-16H
InChIKeyHGZQXJDQXAXAEI-UHFFFAOYSA-N
XLogP6.21
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.89
LogP ≤ 56.21
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-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole (CID 155675529) is 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole is Clc1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-n2cccn2)n1.
What is the InChIKey of 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is HGZQXJDQXAXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN5O/c26-23-15-18(16-25(29-23)30-13-5-12-28-30)32-17-9-10-20-19-6-1-2-7-21(19)31(22(20)14-17)24-8-3-4-11-27-24/h1-16H.
What are the key properties of 2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
2-[(2-chloro-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 437.89 g/mol, XLogP of 6.21, 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-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155675529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).