N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide

C17H21F2N5O — CID 157030462

IUPACN-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESC=C(C)[C@H](NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CN)nc2c1
InChIInChI=1S/C17H21F2N5O/c1-10(2)16(23-15(25)3-11-5-17(18,19)6-11)12-4-14-22-13(7-20)9-24(14)21-8-12/h4,8-9,11,16H,1,3,5-7,20H2,2H3,(H,23,25)/t16-/m0/s1
InChIKeyFHBHBMVLVHVJQZ-INIZCTEOSA-N
MW349.39 g/mol
LogP2.36
Rot. Bonds6

About N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 157030462) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID157030462
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC NameN-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESC=C(C)[C@H](NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CN)nc2c1
InChIInChI=1S/C17H21F2N5O/c1-10(2)16(23-15(25)3-11-5-17(18,19)6-11)12-4-14-22-13(7-20)9-24(14)21-8-12/h4,8-9,11,16H,1,3,5-7,20H2,2H3,(H,23,25)/t16-/m0/s1
InChIKeyFHBHBMVLVHVJQZ-INIZCTEOSA-N
XLogP2.36
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide 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-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 157030462) is N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide is C=C(C)[C@H](NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CN)nc2c1.
What is the InChIKey of N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is FHBHBMVLVHVJQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21F2N5O/c1-10(2)16(23-15(25)3-11-5-17(18,19)6-11)12-4-14-22-13(7-20)9-24(14)21-8-12/h4,8-9,11,16H,1,3,5-7,20H2,2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylprop-2-enyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 157030462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).