6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

C28H16ClF5N10 — CID 159965165

IUPAC6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(-c2cnc3ccc(Cl)nn23)cn1.Nc1ncc(-c2ccc3ncc(-c4ccc(F)nc4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C17H10F4N6.C11H6ClFN4/c18-14-3-1-9(6-23-14)13-8-24-15-4-2-12(26-27(13)15)10-5-11(17(19,20)21)16(22)25-7-10;12-9-2-4-11-15-6-8(17(11)16-9)7-1-3-10(13)14-5-7/h1-8H,(H2,22,25);1-6H
InChIKeyODVKYYCFYAUNFV-UHFFFAOYSA-N
MW622.95 g/mol
LogP6.18
Rot. Bonds3

About 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 159965165) has the molecular formula C28H16ClF5N10 and a molecular weight of 622.95 g/mol. Its IUPAC name is 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID159965165
Molecular FormulaC28H16ClF5N10
Molecular Weight622.95 g/mol
Exact Mass622.12
IUPAC Name6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(-c2cnc3ccc(Cl)nn23)cn1.Nc1ncc(-c2ccc3ncc(-c4ccc(F)nc4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C17H10F4N6.C11H6ClFN4/c18-14-3-1-9(6-23-14)13-8-24-15-4-2-12(26-27(13)15)10-5-11(17(19,20)21)16(22)25-7-10;12-9-2-4-11-15-6-8(17(11)16-9)7-1-3-10(13)14-5-7/h1-8H,(H2,22,25);1-6H
InChIKeyODVKYYCFYAUNFV-UHFFFAOYSA-N
XLogP6.18
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.95
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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CID 54766320
4-chloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766322
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CID 54766324

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 159965165) is 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is Fc1ccc(-c2cnc3ccc(Cl)nn23)cn1.Nc1ncc(-c2ccc3ncc(-c4ccc(F)nc4)n3n2)cc1C(F)(F)F.
What is the InChIKey of 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ODVKYYCFYAUNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6.C11H6ClFN4/c18-14-3-1-9(6-23-14)13-8-24-15-4-2-12(26-27(13)15)10-5-11(17(19,20)21)16(22)25-7-10;12-9-2-4-11-15-6-8(17(11)16-9)7-1-3-10(13)14-5-7/h1-8H,(H2,22,25);1-6H.
What are the key properties of 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 622.95 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159965165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).