3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane

C62H59BrF6N14O2Sn — CID 158071692

IUPAC3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccccn1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccccn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
InChIInChI=1S/C25H16F3N7O.C20H12BrF3N6O.C5H4N.3C4H9.Sn/c26-25(27,28)21-14-20(18-7-4-11-29-15-18)34-35(21)23-10-9-22(32-33-23)31-24(36)17-6-3-5-16(13-17)19-8-1-2-12-30-19;21-14-5-1-3-12(9-14)19(31)26-17-6-7-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-4-2-8-25-11-13;1-2-4-6-5-3-1;3*1-3-4-2;/h1-15H,(H,31,32,36);1-11H,(H,26,27,31);1-4H;3*1,3-4H2,2H3;
InChIKeyFLWWLXCGPLRLIS-UHFFFAOYSA-N
MW1344.85 g/mol
LogP14.95
Rot. Bonds19

About 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane

3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane (PubChem CID 158071692) has the molecular formula C62H59BrF6N14O2Sn and a molecular weight of 1344.85 g/mol. Its IUPAC name is 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane.

Molecular Properties

Compound Name3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane
PubChem CID158071692
Molecular FormulaC62H59BrF6N14O2Sn
Molecular Weight1344.85 g/mol
Exact Mass1344.31
IUPAC Name3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccccn1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccccn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
InChIInChI=1S/C25H16F3N7O.C20H12BrF3N6O.C5H4N.3C4H9.Sn/c26-25(27,28)21-14-20(18-7-4-11-29-15-18)34-35(21)23-10-9-22(32-33-23)31-24(36)17-6-3-5-16(13-17)19-8-1-2-12-30-19;21-14-5-1-3-12(9-14)19(31)26-17-6-7-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-4-2-8-25-11-13;1-2-4-6-5-3-1;3*1-3-4-2;/h1-15H,(H,31,32,36);1-11H,(H,26,27,31);1-4H;3*1,3-4H2,2H3;
InChIKeyFLWWLXCGPLRLIS-UHFFFAOYSA-N
XLogP14.95
TPSA196.96 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.85
LogP ≤ 514.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane with MolForge

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Related Compounds

3-Bromo-N-{6-[3-(6-morpholin-4-yl-pyridin-3-yl)-5-trifluoromethyl-pyrazol-1-yl]-pyridazin-3-yl}-benzamide
CID 57861338
3-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861355
2-pyridin-3-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide
CID 57861380
3-pyridin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861424
3-Bromo-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-yl]-benzamide
CID 57861439
2-bromo-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-yl]-benzamide
CID 57861463
4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861474
3-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861483
2-Phenyl-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-yl]-isonicotinamide
CID 57861484
5-bromo-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-yl]-nicotinamide
CID 57861485
N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 57861498
3-(6-methylpyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 57861523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane?
The IUPAC name of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane (CID 158071692) is 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane.
What is the SMILES notation for 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane?
The canonical SMILES for 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccccn1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccccn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane?
The InChIKey is FLWWLXCGPLRLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O.C20H12BrF3N6O.C5H4N.3C4H9.Sn/c26-25(27,28)21-14-20(18-7-4-11-29-15-18)34-35(21)23-10-9-22(32-33-23)31-24(36)17-6-3-5-16(13-17)19-8-1-2-12-30-19;21-14-5-1-3-12(9-14)19(31)26-17-6-7-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-4-2-8-25-11-13;1-2-4-6-5-3-1;3*1-3-4-2;/h1-15H,(H,31,32,36);1-11H,(H,26,27,31);1-4H;3*1,3-4H2,2H3;.
What are the key properties of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane?
3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane has a molecular weight of 1344.85 g/mol, XLogP of 14.95, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-pyridin-2-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 158071692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).