4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one

C32H38FN7O — CID 58335821

IUPAC4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one
SMILESCN(C)CCCC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C32H38FN7O/c1-37(2)17-6-11-29(41)23-15-19-38(20-16-23)31-12-4-9-26(35-31)28-22-34-30-13-14-32(36-40(28)30)39-18-5-10-27(39)24-7-3-8-25(33)21-24/h3-4,7-9,12-14,21-23,27H,5-6,10-11,15-20H2,1-2H3
InChIKeyMUCZKRNDJJEODL-UHFFFAOYSA-N
MW555.70 g/mol
LogP5.40
Rot. Bonds9

About 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one

4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one (PubChem CID 58335821) has the molecular formula C32H38FN7O and a molecular weight of 555.70 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one
PubChem CID58335821
Molecular FormulaC32H38FN7O
Molecular Weight555.70 g/mol
Exact Mass555.31
IUPAC Name4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one
SMILESCN(C)CCCC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C32H38FN7O/c1-37(2)17-6-11-29(41)23-15-19-38(20-16-23)31-12-4-9-26(35-31)28-22-34-30-13-14-32(36-40(28)30)39-18-5-10-27(39)24-7-3-8-25(33)21-24/h3-4,7-9,12-14,21-23,27H,5-6,10-11,15-20H2,1-2H3
InChIKeyMUCZKRNDJJEODL-UHFFFAOYSA-N
XLogP5.40
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.70
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Adipiplon
CID 11198924
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
US10399985, Example 30
CID 118278101
US10399985, Example 20
CID 118278203

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one (CID 58335821) is 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one is CN(C)CCCC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1.
What is the InChIKey of 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one?
The InChIKey is MUCZKRNDJJEODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN7O/c1-37(2)17-6-11-29(41)23-15-19-38(20-16-23)31-12-4-9-26(35-31)28-22-34-30-13-14-32(36-40(28)30)39-18-5-10-27(39)24-7-3-8-25(33)21-24/h3-4,7-9,12-14,21-23,27H,5-6,10-11,15-20H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one?
4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one has a molecular weight of 555.70 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]butan-1-one is sourced from PubChem (CID 58335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).