6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C38H38ClN9O — CID 161270221

IUPAC6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C
InChIInChI=1S/C22H25N5O.C16H13ClN4/c1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);3-9H,1-2H3
InChIKeyVDSDZRIRYKZLDC-UHFFFAOYSA-N
MW672.24 g/mol
LogP7.76
Rot. Bonds4

About 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 161270221) has the molecular formula C38H38ClN9O and a molecular weight of 672.24 g/mol. Its IUPAC name is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID161270221
Molecular FormulaC38H38ClN9O
Molecular Weight672.24 g/mol
Exact Mass671.29
IUPAC Name6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C
InChIInChI=1S/C22H25N5O.C16H13ClN4/c1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);3-9H,1-2H3
InChIKeyVDSDZRIRYKZLDC-UHFFFAOYSA-N
XLogP7.76
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.24
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 161270221) is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(-c1cnc3ccc(NC4CCC(O)CC4)nn13)n2C.
What is the InChIKey of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is VDSDZRIRYKZLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.C16H13ClN4/c1-14-3-8-18-15(11-14)12-19(26(18)2)20-13-23-22-10-9-21(25-27(20)22)24-16-4-6-17(28)7-5-16;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16/h3,8-13,16-17,28H,4-7H2,1-2H3,(H,24,25);3-9H,1-2H3.
What are the key properties of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 672.24 g/mol, XLogP of 7.76, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 161270221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).