N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide

C23H23N9O2 — CID 164791993

IUPACN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccnn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C23H23N9O2/c1-34-20-12-19-15(11-18(20)23(33)27-22-13-24-21-3-2-8-26-32(21)22)14-31(28-19)17-6-4-16(5-7-17)30-10-9-25-29-30/h2-3,8-14,16-17H,4-7H2,1H3,(H,27,33)
InChIKeyRLGSHQGQDLENCX-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.29
Rot. Bonds5

About N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide (PubChem CID 164791993) has the molecular formula C23H23N9O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
PubChem CID164791993
Molecular FormulaC23H23N9O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccnn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C23H23N9O2/c1-34-20-12-19-15(11-18(20)23(33)27-22-13-24-21-3-2-8-26-32(21)22)14-31(28-19)17-6-4-16(5-7-17)30-10-9-25-29-30/h2-3,8-14,16-17H,4-7H2,1H3,(H,27,33)
InChIKeyRLGSHQGQDLENCX-UHFFFAOYSA-N
XLogP3.29
TPSA117.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(4-hydroxycyclohexyl)-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396353
2-[4-(dimethylcarbamoyl)cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396569
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-[[(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
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-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide
CID 163396451
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 N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
The IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide (CID 164791993) is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide.
What is the SMILES notation for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
The canonical SMILES for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide is COc1cc2nn(C3CCC(n4ccnn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
The InChIKey is RLGSHQGQDLENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O2/c1-34-20-12-19-15(11-18(20)23(33)27-22-13-24-21-3-2-8-26-32(21)22)14-31(28-19)17-6-4-16(5-7-17)30-10-9-25-29-30/h2-3,8-14,16-17H,4-7H2,1H3,(H,27,33).
What are the key properties of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide is sourced from PubChem (CID 164791993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).