7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride

C69H53BBr2Cl3F9N15O7PPd — CID 160495475

IUPAC7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride
SMILESB(C1=CC=CC=C1)(O)O.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CN4C3=NC=C4)C5=CC=CC=C5)C(F)(F)F.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CN4C3=NC=C4)Br)C(F)(F)F.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)O)C(F)(F)F.C1=CN2C=CN=C2C(=C1Br)N.O=P(Cl)(Cl)Cl.[Pd]
InChIInChI=1S/C25H18F3N5O.C19H13BrF3N5O.C12H9F3N2O2.C7H6BrN3.C6H7BO2.Cl3OP.Pd/c1-32-12-10-21(31-32)19-15-17(7-8-20(19)25(26,27)28)24(34)30-22-18(16-5-3-2-4-6-16)9-13-33-14-11-29-23(22)33;1-27-7-5-15(26-27)12-10-11(2-3-13(12)19(21,22)23)18(29)25-16-14(20)4-8-28-9-6-24-17(16)28;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;8-5-1-3-11-4-2-10-7(11)6(5)9;8-7(9)6-4-2-1-3-5-6;1-5(2,3)4;/h2-15H,1H3,(H,30,34);2-10H,1H3,(H,25,29);2-6H,1H3,(H,18,19);1-4H,9H2;1-5,8-9H;;
InChIKeyQRCDFFLNJTZASI-UHFFFAOYSA-N
MW1789.60 g/mol
LogP—
Rot. Bonds10

About 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride

7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride (PubChem CID 160495475) has the molecular formula C69H53BBr2Cl3F9N15O7PPd and a molecular weight of 1789.60 g/mol. Its IUPAC name is 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride.

Molecular Properties

Compound Name7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride
PubChem CID160495475
Molecular FormulaC69H53BBr2Cl3F9N15O7PPd
Molecular Weight1789.60 g/mol
Exact Mass1787.04
IUPAC Name7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride
SMILESB(C1=CC=CC=C1)(O)O.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CN4C3=NC=C4)C5=CC=CC=C5)C(F)(F)F.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CN4C3=NC=C4)Br)C(F)(F)F.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)O)C(F)(F)F.C1=CN2C=CN=C2C(=C1Br)N.O=P(Cl)(Cl)Cl.[Pd]
InChIInChI=1S/C25H18F3N5O.C19H13BrF3N5O.C12H9F3N2O2.C7H6BrN3.C6H7BO2.Cl3OP.Pd/c1-32-12-10-21(31-32)19-15-17(7-8-20(19)25(26,27)28)24(34)30-22-18(16-5-3-2-4-6-16)9-13-33-14-11-29-23(22)33;1-27-7-5-15(26-27)12-10-11(2-3-13(12)19(21,22)23)18(29)25-16-14(20)4-8-28-9-6-24-17(16)28;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;8-5-1-3-11-4-2-10-7(11)6(5)9;8-7(9)6-4-2-1-3-5-6;1-5(2,3)4;/h2-15H,1H3,(H,30,34);2-10H,1H3,(H,25,29);2-6H,1H3,(H,18,19);1-4H,9H2;1-5,8-9H;;
InChIKeyQRCDFFLNJTZASI-UHFFFAOYSA-N
XLogP—
TPSA284.00 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms108
Complexity1960

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride?
The IUPAC name of 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride (CID 160495475) is 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride.
What is the SMILES notation for 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride?
The canonical SMILES for 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride is B(C1=CC=CC=C1)(O)O.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CN4C3=NC=C4)C5=CC=CC=C5)C(F)(F)F.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CN4C3=NC=C4)Br)C(F)(F)F.CN1C=CC(=N1)C2=C(C=CC(=C2)C(=O)O)C(F)(F)F.C1=CN2C=CN=C2C(=C1Br)N.O=P(Cl)(Cl)Cl.[Pd].
What is the InChIKey of 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride?
The InChIKey is QRCDFFLNJTZASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O.C19H13BrF3N5O.C12H9F3N2O2.C7H6BrN3.C6H7BO2.Cl3OP.Pd/c1-32-12-10-21(31-32)19-15-17(7-8-20(19)25(26,27)28)24(34)30-22-18(16-5-3-2-4-6-16)9-13-33-14-11-29-23(22)33;1-27-7-5-15(26-27)12-10-11(2-3-13(12)19(21,22)23)18(29)25-16-14(20)4-8-28-9-6-24-17(16)28;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;8-5-1-3-11-4-2-10-7(11)6(5)9;8-7(9)6-4-2-1-3-5-6;1-5(2,3)4;/h2-15H,1H3,(H,30,34);2-10H,1H3,(H,25,29);2-6H,1H3,(H,18,19);1-4H,9H2;1-5,8-9H;;.
What are the key properties of 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride?
7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride has a molecular weight of 1789.60 g/mol, XLogP of not available, 10 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoimidazo[1,2-a]pyridin-8-amine;N-(7-bromoimidazo[1,2-a]pyridin-8-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(7-phenylimidazo[1,2-a]pyridin-8-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;palladium;phenylboronic acid;phosphoryl trichloride is sourced from PubChem (CID 160495475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).