6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

C40H37ClF6N10O4 — CID 159667362

IUPAC6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCn1nccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C4OCCO4)cc3)n2n1.FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C22H21F3N6O2.C18H16ClF3N4O2/c1-30-18(6-8-28-30)16-12-17(26-9-7-22(23,24)25)20-27-13-19(31(20)29-16)14-2-4-15(5-3-14)21-32-10-11-33-21;19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h2-6,8,12-13,21,26H,7,9-11H2,1H3;1-4,9-10,17,23H,5-8H2
InChIKeyMTOSEQTXPQPPFB-UHFFFAOYSA-N
MW871.24 g/mol
LogP8.67
Rot. Bonds11

About 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 159667362) has the molecular formula C40H37ClF6N10O4 and a molecular weight of 871.24 g/mol. Its IUPAC name is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID159667362
Molecular FormulaC40H37ClF6N10O4
Molecular Weight871.24 g/mol
Exact Mass870.26
IUPAC Name6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCn1nccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C4OCCO4)cc3)n2n1.FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C22H21F3N6O2.C18H16ClF3N4O2/c1-30-18(6-8-28-30)16-12-17(26-9-7-22(23,24)25)20-27-13-19(31(20)29-16)14-2-4-15(5-3-14)21-32-10-11-33-21;19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h2-6,8,12-13,21,26H,7,9-11H2,1H3;1-4,9-10,17,23H,5-8H2
InChIKeyMTOSEQTXPQPPFB-UHFFFAOYSA-N
XLogP8.67
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.24
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine with MolForge

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Related Compounds

3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 66692317
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 87110714
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3-fluoro-3-methylbutyl)imidazo[1,2-b]pyridazin-8-amine
CID 123684949
3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;4-[6-(2-methylpyrazol-3-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzaldehyde
CID 159174542
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[3-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 161226807
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;6-chloro-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
CID 161986237
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;[2-[3-[4-(1,3-dioxolan-2-yl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 162114074
3-[4-(1,3-dioxolan-2-yl)phenyl]-N-isobutyl-6-(pyridin-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 66695628
1-[[3-[4-(1,3-Dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
CID 66695736
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
CID 87110509
1-[[6-Chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
CID 87110906
6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 87113003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (CID 159667362) is 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is Cn1nccc1-c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C4OCCO4)cc3)n2n1.FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is MTOSEQTXPQPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2.C18H16ClF3N4O2/c1-30-18(6-8-28-30)16-12-17(26-9-7-22(23,24)25)20-27-13-19(31(20)29-16)14-2-4-15(5-3-14)21-32-10-11-33-21;19-15-9-13(23-6-5-18(20,21)22)16-24-10-14(26(16)25-15)11-1-3-12(4-2-11)17-27-7-8-28-17/h2-6,8,12-13,21,26H,7,9-11H2,1H3;1-4,9-10,17,23H,5-8H2.
What are the key properties of 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 871.24 g/mol, XLogP of 8.67, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(1,3-dioxolan-2-yl)phenyl]-6-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 159667362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).