6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

C47H40ClF6N13 — CID 159647744

IUPAC6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCNc1cc(-c2ccncc2)nn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12.FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12
InChIInChI=1S/C26H22F3N7.C21H18ClF3N6/c27-26(28,29)9-12-31-21-13-20(17-7-10-30-11-8-17)35-36-23(15-33-25(21)36)18-3-1-16(2-4-18)22-14-32-24(34-22)19-5-6-19;22-18-9-15(26-8-7-21(23,24)25)20-28-11-17(31(20)30-18)13-3-1-12(2-4-13)16-10-27-19(29-16)14-5-6-14/h1-4,7-8,10-11,13-15,19,31H,5-6,9,12H2,(H,32,34);1-4,9-11,14,26H,5-8H2,(H,27,29)
InChIKeyMREAMXYILMRKJA-UHFFFAOYSA-N
MW936.37 g/mol
LogP11.77
Rot. Bonds13

About 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 159647744) has the molecular formula C47H40ClF6N13 and a molecular weight of 936.37 g/mol. Its IUPAC name is 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID159647744
Molecular FormulaC47H40ClF6N13
Molecular Weight936.37 g/mol
Exact Mass935.31
IUPAC Name6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESFC(F)(F)CCNc1cc(-c2ccncc2)nn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12.FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12
InChIInChI=1S/C26H22F3N7.C21H18ClF3N6/c27-26(28,29)9-12-31-21-13-20(17-7-10-30-11-8-17)35-36-23(15-33-25(21)36)18-3-1-16(2-4-18)22-14-32-24(34-22)19-5-6-19;22-18-9-15(26-8-7-21(23,24)25)20-28-11-17(31(20)30-18)13-3-1-12(2-4-13)16-10-27-19(29-16)14-5-6-14/h1-4,7-8,10-11,13-15,19,31H,5-6,9,12H2,(H,32,34);1-4,9-11,14,26H,5-8H2,(H,27,29)
InChIKeyMREAMXYILMRKJA-UHFFFAOYSA-N
XLogP11.77
TPSA154.69 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.37
LogP ≤ 511.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine with MolForge

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Related Compounds

3-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 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
IRE1|A kinase-IN-1
CID 139593294
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155522759
3-(2-anilino-7-fluoro-3H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155540082
3-(2-anilino-4-fluoro-1H-benzimidazol-5-yl)-6-chloro-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155548986
3-(2-anilino-3H-benzimidazol-5-yl)-6-chloro-N-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-8-amine
CID 155566735
5-(4-{4-[5-(4-chloropyridine-2-yl)-1H-[1,2,4]triazole-3-yl]-piperidine-1-ylmethyl}-phenyl)-2-cyclopropyl-6-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68751845
5-(4-{4-[5-(4-chloropyridine-2-yl)-1H-[1,2,4]triazole-3-yl]-piperidine-1-ylmethyl}-phenyl) 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68753925
2-{1-[4-(6-phenyl-pyrazolo[1,5-a]pyrimidin-5-yl)-benzyl]-piperidin-4-yl}-3H-imidazo[4,5-b]pyridine
CID 68753940
5-[4-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methyl]phenyl]-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68758163
4-[4-[5-(4-chlorophenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413903

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (CID 159647744) is 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is FC(F)(F)CCNc1cc(-c2ccncc2)nn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12.FC(F)(F)CCNc1cc(Cl)nn2c(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)cnc12.
What is the InChIKey of 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is MREAMXYILMRKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7.C21H18ClF3N6/c27-26(28,29)9-12-31-21-13-20(17-7-10-30-11-8-17)35-36-23(15-33-25(21)36)18-3-1-16(2-4-18)22-14-32-24(34-22)19-5-6-19;22-18-9-15(26-8-7-21(23,24)25)20-28-11-17(31(20)30-18)13-3-1-12(2-4-13)16-10-27-19(29-16)14-5-6-14/h1-4,7-8,10-11,13-15,19,31H,5-6,9,12H2,(H,32,34);1-4,9-11,14,26H,5-8H2,(H,27,29).
What are the key properties of 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 936.37 g/mol, XLogP of 11.77, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine;3-[4-(2-cyclopropyl-1H-imidazol-5-yl)phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 159647744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).