N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine

C38H34F2N10 — CID 161326026

IUPACN-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1[nH]ncc1CCCNc1ccc2ncc(-c3ccccc3)n2n1.Fc1ccc(CNc2ccc3ncc(-c4ccccc4)n3n2)c(F)c1
InChIInChI=1S/C19H14F2N4.C19H20N6/c20-15-7-6-14(16(21)10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)13-4-2-1-3-5-13;1-14-16(12-22-23-14)8-5-11-20-18-9-10-19-21-13-17(25(19)24-18)15-6-3-2-4-7-15/h1-10,12H,11H2,(H,22,24);2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyVKTXJODDUWRTEH-UHFFFAOYSA-N
MW668.76 g/mol
LogP7.76
Rot. Bonds10

About N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine

N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 161326026) has the molecular formula C38H34F2N10 and a molecular weight of 668.76 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine
PubChem CID161326026
Molecular FormulaC38H34F2N10
Molecular Weight668.76 g/mol
Exact Mass668.29
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1[nH]ncc1CCCNc1ccc2ncc(-c3ccccc3)n2n1.Fc1ccc(CNc2ccc3ncc(-c4ccccc4)n3n2)c(F)c1
InChIInChI=1S/C19H14F2N4.C19H20N6/c20-15-7-6-14(16(21)10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)13-4-2-1-3-5-13;1-14-16(12-22-23-14)8-5-11-20-18-9-10-19-21-13-17(25(19)24-18)15-6-3-2-4-7-15/h1-10,12H,11H2,(H,22,24);2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyVKTXJODDUWRTEH-UHFFFAOYSA-N
XLogP7.76
TPSA113.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine 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 N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine (CID 161326026) is N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine is Cc1[nH]ncc1CCCNc1ccc2ncc(-c3ccccc3)n2n1.Fc1ccc(CNc2ccc3ncc(-c4ccccc4)n3n2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VKTXJODDUWRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4.C19H20N6/c20-15-7-6-14(16(21)10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)13-4-2-1-3-5-13;1-14-16(12-22-23-14)8-5-11-20-18-9-10-19-21-13-17(25(19)24-18)15-6-3-2-4-7-15/h1-10,12H,11H2,(H,22,24);2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine?
N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 668.76 g/mol, XLogP of 7.76, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 161326026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).