2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide

C24H27N7O3 — CID 163396268

IUPAC2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(C)=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C24H27N7O3/c1-15(32)29(2)17-6-8-18(9-7-17)30-14-16-11-19(21(34-3)12-20(16)28-30)24(33)27-23-13-25-22-5-4-10-26-31(22)23/h4-5,10-14,17-18H,6-9H2,1-3H3,(H,27,33)
InChIKeyKCLRYKVPNGGTRV-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.30
Rot. Bonds5

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

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (PubChem CID 163396268) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
PubChem CID163396268
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N(C)C(C)=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C24H27N7O3/c1-15(32)29(2)17-6-8-18(9-7-17)30-14-16-11-19(21(34-3)12-20(16)28-30)24(33)27-23-13-25-22-5-4-10-26-31(22)23/h4-5,10-14,17-18H,6-9H2,1-3H3,(H,27,33)
InChIKeyKCLRYKVPNGGTRV-UHFFFAOYSA-N
XLogP3.30
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (CID 163396268) is 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(N(C)C(C)=O)CC3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The InChIKey is KCLRYKVPNGGTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15(32)29(2)17-6-8-18(9-7-17)30-14-16-11-19(21(34-3)12-20(16)28-30)24(33)27-23-13-25-22-5-4-10-26-31(22)23/h4-5,10-14,17-18H,6-9H2,1-3H3,(H,27,33).
What are the key properties of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 163396268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).