N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine

C25H25N7 — CID 123696987

IUPACN-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2ccc(-c3ccc4ncc(-c5ccc6[nH]ccc6c5)n4n3)cc2)CC1
InChIInChI=1S/C25H25N7/c1-30-12-14-31(15-13-30)28-21-5-2-18(3-6-21)23-8-9-25-27-17-24(32(25)29-23)20-4-7-22-19(16-20)10-11-26-22/h2-11,16-17,26,28H,12-15H2,1H3
InChIKeyXLTRKCCAZZKMTB-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.12
Rot. Bonds4

About N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine

N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine (PubChem CID 123696987) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine
PubChem CID123696987
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC NameN-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(Nc2ccc(-c3ccc4ncc(-c5ccc6[nH]ccc6c5)n4n3)cc2)CC1
InChIInChI=1S/C25H25N7/c1-30-12-14-31(15-13-30)28-21-5-2-18(3-6-21)23-8-9-25-27-17-24(32(25)29-23)20-4-7-22-19(16-20)10-11-26-22/h2-11,16-17,26,28H,12-15H2,1H3
InChIKeyXLTRKCCAZZKMTB-UHFFFAOYSA-N
XLogP4.12
TPSA64.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine 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

3-(1-benzothiophen-2-yl)-8-N-cyclopropyl-6-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine;3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine;3-(1-benzothiophen-2-yl)-N-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;3,6-bis(1H-indol-5-yl)imidazo[1,2-b]pyridazine;3-(1H-indol-5-yl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-b]pyridazine
CID 159603117
[4-[3-(1-methylbenzimidazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 130331463
3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 158741740
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
CID 50915100
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-indol-5-amine
CID 82536098
4-[6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 137120111
(1S,5R)-N-[6-(1H-indol-6-yl)-3-pyridinyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66787176
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146315974
6-ethenyl-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494136
4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one
CID 146338701
N-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 155411920

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine (CID 123696987) is N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine is CN1CCN(Nc2ccc(-c3ccc4ncc(-c5ccc6[nH]ccc6c5)n4n3)cc2)CC1.
What is the InChIKey of N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine?
The InChIKey is XLTRKCCAZZKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-30-12-14-31(15-13-30)28-21-5-2-18(3-6-21)23-8-9-25-27-17-24(32(25)29-23)20-4-7-22-19(16-20)10-11-26-22/h2-11,16-17,26,28H,12-15H2,1H3.
What are the key properties of N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine?
N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine has a molecular weight of 423.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1H-indol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 123696987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).