6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C44H53ClF6N10O2 — CID 161441817

IUPAC6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)N1CCC(CN)CC1.CC(C)N1CCC(CNc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1.FC(F)(F)Oc1ccc(-c2cnc3ccc(Cl)nn23)cc1
InChIInChI=1S/C22H26F3N5O.C13H7ClF3N3O.C9H20N2/c1-15(2)29-11-9-16(10-12-29)13-26-20-7-8-21-27-14-19(30(21)28-20)17-3-5-18(6-4-17)31-22(23,24)25;14-11-5-6-12-18-7-10(20(12)19-11)8-1-3-9(4-2-8)21-13(15,16)17;1-8(2)11-5-3-9(7-10)4-6-11/h3-8,14-16H,9-13H2,1-2H3,(H,26,28);1-7H;8-9H,3-7,10H2,1-2H3
InChIKeyVZJJHXNXKJROTF-UHFFFAOYSA-N
MW903.42 g/mol
LogP9.84
Rot. Bonds10

About 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 161441817) has the molecular formula C44H53ClF6N10O2 and a molecular weight of 903.42 g/mol. Its IUPAC name is 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID161441817
Molecular FormulaC44H53ClF6N10O2
Molecular Weight903.42 g/mol
Exact Mass902.39
IUPAC Name6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)N1CCC(CN)CC1.CC(C)N1CCC(CNc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1.FC(F)(F)Oc1ccc(-c2cnc3ccc(Cl)nn23)cc1
InChIInChI=1S/C22H26F3N5O.C13H7ClF3N3O.C9H20N2/c1-15(2)29-11-9-16(10-12-29)13-26-20-7-8-21-27-14-19(30(21)28-20)17-3-5-18(6-4-17)31-22(23,24)25;14-11-5-6-12-18-7-10(20(12)19-11)8-1-3-9(4-2-8)21-13(15,16)17;1-8(2)11-5-3-9(7-10)4-6-11/h3-8,14-16H,9-13H2,1-2H3,(H,26,28);1-7H;8-9H,3-7,10H2,1-2H3
InChIKeyVZJJHXNXKJROTF-UHFFFAOYSA-N
XLogP9.84
TPSA123.37 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.42
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 161441817) is 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is CC(C)N1CCC(CN)CC1.CC(C)N1CCC(CNc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1.FC(F)(F)Oc1ccc(-c2cnc3ccc(Cl)nn23)cc1.
What is the InChIKey of 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VZJJHXNXKJROTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O.C13H7ClF3N3O.C9H20N2/c1-15(2)29-11-9-16(10-12-29)13-26-20-7-8-21-27-14-19(30(21)28-20)17-3-5-18(6-4-17)31-22(23,24)25;14-11-5-6-12-18-7-10(20(12)19-11)8-1-3-9(4-2-8)21-13(15,16)17;1-8(2)11-5-3-9(7-10)4-6-11/h3-8,14-16H,9-13H2,1-2H3,(H,26,28);1-7H;8-9H,3-7,10H2,1-2H3.
What are the key properties of 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 903.42 g/mol, XLogP of 9.84, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;(1-propan-2-ylpiperidin-4-yl)methanamine;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 161441817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).