bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide — IUPAC name, SMILES, InChIKey & properties

Name: bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide

bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide (PubChem CID 160743210) has the molecular formula C78H61BBr4F8N18O6 and a molecular weight of 1828.88 g/mol. Its IUPAC name is bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name	bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide
PubChem CID	160743210
Molecular Formula	C78H61BBr4F8N18O6
Molecular Weight	1828.88 g/mol
Exact Mass	1824.17
IUPAC Name	bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide
SMILES	Br.Brc1cccn2c(-c3cccnn3)ncc12.Brc1cccn2c(-c3cccnn3)ncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.NCc1ncccc1Br.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnn4)ncc23)ccc1C(F)(F)F.O=C(O)c1cccnn1
InChI	InChI=1S/C25H15F4N5O.C20H20BF4NO3.2C11H7BrN4.C6H7BrN2.C5H4N2O2.BrH/c26-16-6-8-17(9-7-16)32-24(35)19-13-15(5-10-20(19)25(27,28)29)18-3-2-12-34-22(18)14-30-23(34)21-4-1-11-31-33-21;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;212-8-3-2-6-16-10(8)7-13-11(16)9-4-1-5-14-15-9;7-5-2-1-3-9-6(5)4-8;8-5(9)4-2-1-3-6-7-4;/h1-14H,(H,32,35);5-11H,1-4H3,(H,26,27);21-7H;1-3H,4,8H2;1-3H,(H,8,9);1H
InChIKey	PGFXVRSZNJVQNA-UHFFFAOYSA-N
XLogP	17.43
TPSA	307.89 Å²
H-Bond Donors	4
H-Bond Acceptors	21
Rotatable Bonds	11
Heavy Atoms	115
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.88
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide?

The IUPAC name of bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide (CID 160743210) is bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide.

What is the SMILES notation for bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide?

The canonical SMILES for bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide is Br.Brc1cccn2c(-c3cccnn3)ncc12.Brc1cccn2c(-c3cccnn3)ncc12.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.NCc1ncccc1Br.O=C(Nc1ccc(F)cc1)c1cc(-c2cccn3c(-c4cccnn4)ncc23)ccc1C(F)(F)F.O=C(O)c1cccnn1.

What is the InChIKey of bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide?

The InChIKey is PGFXVRSZNJVQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F4N5O.C20H20BF4NO3.2C11H7BrN4.C6H7BrN2.C5H4N2O2.BrH/c26-16-6-8-17(9-7-16)32-24(35)19-13-15(5-10-20(19)25(27,28)29)18-3-2-12-34-22(18)14-30-23(34)21-4-1-11-31-33-21;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;2*12-8-3-2-6-16-10(8)7-13-11(16)9-4-1-5-14-15-9;7-5-2-1-3-9-6(5)4-8;8-5(9)4-2-1-3-6-7-4;/h1-14H,(H,32,35);5-11H,1-4H3,(H,26,27);2*1-7H;1-3H,4,8H2;1-3H,(H,8,9);1H.

What are the key properties of bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide?

Where does this data come from?

All data for bis(8-bromo-3-pyridazin-3-ylimidazo[1,5-a]pyridine);(3-bromo-2-pyridinyl)methanamine;N-(4-fluorophenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;pyridazine-3-carboxylic acid;hydrobromide is sourced from PubChem (CID 160743210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).