2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide

C22H24N6O3 — CID 163396326

IUPAC2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(C)(O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C22H24N6O3/c1-22(30)7-5-15(6-8-22)27-13-14-10-16(18(31-2)11-17(14)26-27)21(29)25-20-12-23-19-4-3-9-24-28(19)20/h3-4,9-13,15,30H,5-8H2,1-2H3,(H,25,29)
InChIKeyFZGGSHRNJBLOLD-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.21
Rot. Bonds4

About 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide

2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (PubChem CID 163396326) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
PubChem CID163396326
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(C)(O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C22H24N6O3/c1-22(30)7-5-15(6-8-22)27-13-14-10-16(18(31-2)11-17(14)26-27)21(29)25-20-12-23-19-4-3-9-24-28(19)20/h3-4,9-13,15,30H,5-8H2,1-2H3,(H,25,29)
InChIKeyFZGGSHRNJBLOLD-UHFFFAOYSA-N
XLogP3.21
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (CID 163396326) is 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The InChIKey is FZGGSHRNJBLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-22(30)7-5-15(6-8-22)27-13-14-10-16(18(31-2)11-17(14)26-27)21(29)25-20-12-23-19-4-3-9-24-28(19)20/h3-4,9-13,15,30H,5-8H2,1-2H3,(H,25,29).
What are the key properties of 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylcyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 163396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).