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

C21H22N6O3 — CID 163396353

IUPAC2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C21H22N6O3/c1-30-18-10-17-13(12-26(25-17)14-4-6-15(28)7-5-14)9-16(18)21(29)24-20-11-22-19-3-2-8-23-27(19)20/h2-3,8-12,14-15,28H,4-7H2,1H3,(H,24,29)
InChIKeyXZYUCWVGHDTTKS-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.82
Rot. Bonds4

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

2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (PubChem CID 163396353) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
PubChem CID163396353
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C21H22N6O3/c1-30-18-10-17-13(12-26(25-17)14-4-6-15(28)7-5-14)9-16(18)21(29)24-20-11-22-19-3-2-8-23-27(19)20/h2-3,8-12,14-15,28H,4-7H2,1H3,(H,24,29)
InChIKeyXZYUCWVGHDTTKS-UHFFFAOYSA-N
XLogP2.82
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
CID 164791993
2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396597
2-(3-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 167108752
2-[4-(dimethylcarbamoyl)cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396569
2-[(1S,2S,4R)-4-hydroxy-2-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396460
2-[4-[[(2S)-2-hydroxypropanoyl]-methylamino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396505
[(2S)-1-[[4-[5-(imidazo[1,2-b]pyridazin-3-ylcarbamoyl)-6-methoxyindazol-2-yl]cyclohexyl]-methylamino]-1-oxopropan-2-yl] acetate
CID 175741824
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxamide
CID 163396291
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide
CID 163396451
2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504551
2-[(5R,7R,8R)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide;2-[(5R,7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 165101592
2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396381

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (CID 163396353) is 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The InChIKey is XZYUCWVGHDTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-30-18-10-17-13(12-26(25-17)14-4-6-15(28)7-5-14)9-16(18)21(29)24-20-11-22-19-3-2-8-23-27(19)20/h2-3,8-12,14-15,28H,4-7H2,1H3,(H,24,29).
What are the key properties of 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 163396353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).