6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide

C25H26FN7O — CID 68762286

IUPAC6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCCCC1Nc1cc(Nc2ccccc2)c2ncc(C(=O)Nc3ccccc3F)n2n1
InChIInChI=1S/C25H26FN7O/c26-17-10-4-6-12-19(17)31-25(34)22-15-28-24-21(29-16-8-2-1-3-9-16)14-23(32-33(22)24)30-20-13-7-5-11-18(20)27/h1-4,6,8-10,12,14-15,18,20,29H,5,7,11,13,27H2,(H,30,32)(H,31,34)
InChIKeyHJFJGYZFZJYTIB-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.55
Rot. Bonds6

About 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 68762286) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID68762286
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCCCC1Nc1cc(Nc2ccccc2)c2ncc(C(=O)Nc3ccccc3F)n2n1
InChIInChI=1S/C25H26FN7O/c26-17-10-4-6-12-19(17)31-25(34)22-15-28-24-21(29-16-8-2-1-3-9-16)14-23(32-33(22)24)30-20-13-7-5-11-18(20)27/h1-4,6,8-10,12,14-15,18,20,29H,5,7,11,13,27H2,(H,30,32)(H,31,34)
InChIKeyHJFJGYZFZJYTIB-UHFFFAOYSA-N
XLogP4.55
TPSA109.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Analyze 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide 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 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 68762286) is 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide is NC1CCCCC1Nc1cc(Nc2ccccc2)c2ncc(C(=O)Nc3ccccc3F)n2n1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is HJFJGYZFZJYTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c26-17-10-4-6-12-19(17)31-25(34)22-15-28-24-21(29-16-8-2-1-3-9-16)14-23(32-33(22)24)30-20-13-7-5-11-18(20)27/h1-4,6,8-10,12,14-15,18,20,29H,5,7,11,13,27H2,(H,30,32)(H,31,34).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 68762286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).