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

C25H30N8O2 — CID 176796840

IUPAC2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N4CCN(c5cnc6cccnn56)CC4)CC3)cc2cc1C(N)=O
InChIInChI=1S/C25H30N8O2/c1-35-22-14-21-17(13-20(22)25(26)34)16-32(29-21)19-6-4-18(5-7-19)30-9-11-31(12-10-30)24-15-27-23-3-2-8-28-33(23)24/h2-3,8,13-16,18-19H,4-7,9-12H2,1H3,(H2,26,34)
InChIKeyCTOKOWOEKAAKCR-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.49
Rot. Bonds5

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

2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide (PubChem CID 176796840) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide
PubChem CID176796840
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(N4CCN(c5cnc6cccnn56)CC4)CC3)cc2cc1C(N)=O
InChIInChI=1S/C25H30N8O2/c1-35-22-14-21-17(13-20(22)25(26)34)16-32(29-21)19-6-4-18(5-7-19)30-9-11-31(12-10-30)24-15-27-23-3-2-8-28-33(23)24/h2-3,8,13-16,18-19H,4-7,9-12H2,1H3,(H2,26,34)
InChIKeyCTOKOWOEKAAKCR-UHFFFAOYSA-N
XLogP2.49
TPSA106.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide (CID 176796840) is 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(N4CCN(c5cnc6cccnn56)CC4)CC3)cc2cc1C(N)=O.
What is the InChIKey of 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide?
The InChIKey is CTOKOWOEKAAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-35-22-14-21-17(13-20(22)25(26)34)16-32(29-21)19-6-4-18(5-7-19)30-9-11-31(12-10-30)24-15-27-23-3-2-8-28-33(23)24/h2-3,8,13-16,18-19H,4-7,9-12H2,1H3,(H2,26,34).
What are the key properties of 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide?
2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-imidazo[1,2-b]pyridazin-3-ylpiperazin-1-yl)cyclohexyl]-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 176796840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).