3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

C79H69Br2F5N18O — CID 159213786

IUPAC3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CCCC4)ccc2n1.Fc1ccc(-c2cc3n(n2)CCCC3)cc1.Fc1ccc(-c2nn3c(c2Br)CCCC3)cc1.Fc1ccc(-c2nn3ccccc3c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CCCC4)ccc2n1
InChIInChI=1S/C21H19FN6O.C19H17FN6.C13H12BrFN2.C13H8BrFN2.C13H13FN2/c1-13(29)23-18-12-28-19(24-18)10-9-16(25-28)20-17-4-2-3-11-27(17)26-21(20)14-5-7-15(22)8-6-14;20-13-6-4-12(5-7-13)19-18(15-3-1-2-10-25(15)24-19)14-8-9-17-22-16(21)11-26(17)23-14;2*14-12-11-3-1-2-8-17(11)16-13(12)9-4-6-10(15)7-5-9;14-11-6-4-10(5-7-11)13-9-12-3-1-2-8-16(12)15-13/h5-10,12H,2-4,11H2,1H3,(H,23,29);4-9,11H,1-3,10,21H2;4-7H,1-3,8H2;1-8H;4-7,9H,1-3,8H2
InChIKeyKQUZAMOBTAIXLJ-UHFFFAOYSA-N
MW1541.34 g/mol
LogP17.73
Rot. Bonds8

About 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 159213786) has the molecular formula C79H69Br2F5N18O and a molecular weight of 1541.34 g/mol. Its IUPAC name is 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound Name3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID159213786
Molecular FormulaC79H69Br2F5N18O
Molecular Weight1541.34 g/mol
Exact Mass1538.42
IUPAC Name3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CCCC4)ccc2n1.Fc1ccc(-c2cc3n(n2)CCCC3)cc1.Fc1ccc(-c2nn3c(c2Br)CCCC3)cc1.Fc1ccc(-c2nn3ccccc3c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CCCC4)ccc2n1
InChIInChI=1S/C21H19FN6O.C19H17FN6.C13H12BrFN2.C13H8BrFN2.C13H13FN2/c1-13(29)23-18-12-28-19(24-18)10-9-16(25-28)20-17-4-2-3-11-27(17)26-21(20)14-5-7-15(22)8-6-14;20-13-6-4-12(5-7-13)19-18(15-3-1-2-10-25(15)24-19)14-8-9-17-22-16(21)11-26(17)23-14;2*14-12-11-3-1-2-8-17(11)16-13(12)9-4-6-10(15)7-5-9;14-11-6-4-10(5-7-11)13-9-12-3-1-2-8-16(12)15-13/h5-10,12H,2-4,11H2,1H3,(H,23,29);4-9,11H,1-3,10,21H2;4-7H,1-3,8H2;1-8H;4-7,9H,1-3,8H2
InChIKeyKQUZAMOBTAIXLJ-UHFFFAOYSA-N
XLogP17.73
TPSA204.08 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.34
LogP ≤ 517.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 159213786) is 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CCCC4)ccc2n1.Fc1ccc(-c2cc3n(n2)CCCC3)cc1.Fc1ccc(-c2nn3c(c2Br)CCCC3)cc1.Fc1ccc(-c2nn3ccccc3c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CCCC4)ccc2n1.
What is the InChIKey of 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is KQUZAMOBTAIXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O.C19H17FN6.C13H12BrFN2.C13H8BrFN2.C13H13FN2/c1-13(29)23-18-12-28-19(24-18)10-9-16(25-28)20-17-4-2-3-11-27(17)26-21(20)14-5-7-15(22)8-6-14;20-13-6-4-12(5-7-13)19-18(15-3-1-2-10-25(15)24-19)14-8-9-17-22-16(21)11-26(17)23-14;2*14-12-11-3-1-2-8-17(11)16-13(12)9-4-6-10(15)7-5-9;14-11-6-4-10(5-7-11)13-9-12-3-1-2-8-16(12)15-13/h5-10,12H,2-4,11H2,1H3,(H,23,29);4-9,11H,1-3,10,21H2;4-7H,1-3,8H2;1-8H;4-7,9H,1-3,8H2.
What are the key properties of 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 1541.34 g/mol, XLogP of 17.73, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine;3-bromo-2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 159213786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).