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

C22H24N6O3 — CID 163396597

IUPAC2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CC[C@H](O)[C@@H](C)C3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C22H24N6O3/c1-13-8-15(5-6-18(13)29)27-12-14-9-16(19(31-2)10-17(14)26-27)22(30)25-21-11-23-20-4-3-7-24-28(20)21/h3-4,7,9-13,15,18,29H,5-6,8H2,1-2H3,(H,25,30)/t13-,15-,18-/m0/s1
InChIKeyPVQPRHRVTBBTTO-YEWWUXTCSA-N
MW420.47 g/mol
LogP3.06
Rot. Bonds4

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

2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (PubChem CID 163396597) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
PubChem CID163396597
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CC[C@H](O)[C@@H](C)C3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C22H24N6O3/c1-13-8-15(5-6-18(13)29)27-12-14-9-16(19(31-2)10-17(14)26-27)22(30)25-21-11-23-20-4-3-7-24-28(20)21/h3-4,7,9-13,15,18,29H,5-6,8H2,1-2H3,(H,25,30)/t13-,15-,18-/m0/s1
InChIKeyPVQPRHRVTBBTTO-YEWWUXTCSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396353
2-(3-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 167108752
2-[(1S,2S,4R)-4-hydroxy-2-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396460
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
CID 164791993
2-[4-(dimethylcarbamoyl)cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396569
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide
CID 163396451
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-oxocyclohexyl]indazole-5-carboxamide
CID 163396291
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (CID 163396597) is 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is COc1cc2nn([C@H]3CC[C@H](O)[C@@H](C)C3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The InChIKey is PVQPRHRVTBBTTO-YEWWUXTCSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-8-15(5-6-18(13)29)27-12-14-9-16(19(31-2)10-17(14)26-27)22(30)25-21-11-23-20-4-3-7-24-28(20)21/h3-4,7,9-13,15,18,29H,5-6,8H2,1-2H3,(H,25,30)/t13-,15-,18-/m0/s1.
What are the key properties of 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 163396597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).