[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate

C21H23ClN8O4 — CID 155103229

IUPAC[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Cl)nn2c(C(=O)NC(C)CCn3ncc4cc(OC)c(N)cc43)cnc12
InChIInChI=1S/C21H23ClN8O4/c1-11(4-5-29-14-7-13(23)16(33-3)6-12(14)9-26-29)27-20(31)15-10-25-19-17(34-21(32)24-2)8-18(22)28-30(15)19/h6-11H,4-5,23H2,1-3H3,(H,24,32)(H,27,31)
InChIKeyNKMCNRQONSASCS-UHFFFAOYSA-N
MW486.92 g/mol
LogP2.25
Rot. Bonds7

About [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate

[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate (PubChem CID 155103229) has the molecular formula C21H23ClN8O4 and a molecular weight of 486.92 g/mol. Its IUPAC name is [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate
PubChem CID155103229
Molecular FormulaC21H23ClN8O4
Molecular Weight486.92 g/mol
Exact Mass486.15
IUPAC Name[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(Cl)nn2c(C(=O)NC(C)CCn3ncc4cc(OC)c(N)cc43)cnc12
InChIInChI=1S/C21H23ClN8O4/c1-11(4-5-29-14-7-13(23)16(33-3)6-12(14)9-26-29)27-20(31)15-10-25-19-17(34-21(32)24-2)8-18(22)28-30(15)19/h6-11H,4-5,23H2,1-3H3,(H,24,32)(H,27,31)
InChIKeyNKMCNRQONSASCS-UHFFFAOYSA-N
XLogP2.25
TPSA150.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.92
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate?
The IUPAC name of [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate (CID 155103229) is [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate.
What is the SMILES notation for [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate?
The canonical SMILES for [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate is CNC(=O)Oc1cc(Cl)nn2c(C(=O)NC(C)CCn3ncc4cc(OC)c(N)cc43)cnc12.
What is the InChIKey of [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate?
The InChIKey is NKMCNRQONSASCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8O4/c1-11(4-5-29-14-7-13(23)16(33-3)6-12(14)9-26-29)27-20(31)15-10-25-19-17(34-21(32)24-2)8-18(22)28-30(15)19/h6-11H,4-5,23H2,1-3H3,(H,24,32)(H,27,31).
What are the key properties of [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate?
[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate has a molecular weight of 486.92 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl] N-methylcarbamate is sourced from PubChem (CID 155103229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).