4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide

C23H23N7O — CID 71526168

IUPAC4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESC[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(N)=O)cc3)nn3ccnc23)n1
InChIInChI=1S/C23H23N7O/c1-15-4-3-12-29(15)21-6-2-5-20(27-21)26-19-14-18(28-30-13-11-25-23(19)30)16-7-9-17(10-8-16)22(24)31/h2,5-11,13-15H,3-4,12H2,1H3,(H2,24,31)(H,26,27)/t15-/m0/s1
InChIKeyOSMXZXORIHTBDQ-HNNXBMFYSA-N
MW413.49 g/mol
LogP3.62
Rot. Bonds5

About 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide

4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 71526168) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound Name4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID71526168
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESC[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(N)=O)cc3)nn3ccnc23)n1
InChIInChI=1S/C23H23N7O/c1-15-4-3-12-29(15)21-6-2-5-20(27-21)26-19-14-18(28-30-13-11-25-23(19)30)16-7-9-17(10-8-16)22(24)31/h2,5-11,13-15H,3-4,12H2,1H3,(H2,24,31)(H,26,27)/t15-/m0/s1
InChIKeyOSMXZXORIHTBDQ-HNNXBMFYSA-N
XLogP3.62
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide 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 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 71526168) is 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide is C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc(C(N)=O)cc3)nn3ccnc23)n1.
What is the InChIKey of 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is OSMXZXORIHTBDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-4-3-12-29(15)21-6-2-5-20(27-21)26-19-14-18(28-30-13-11-25-23(19)30)16-7-9-17(10-8-16)22(24)31/h2,5-11,13-15H,3-4,12H2,1H3,(H2,24,31)(H,26,27)/t15-/m0/s1.
What are the key properties of 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide?
4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 413.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 71526168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).