2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine

C24H27N7O — CID 71278163

IUPAC2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2ccccc2nc1-c1cn2nc(N3CCCC3)cc(NC3CCOCC3)c2n1
InChIInChI=1S/C24H27N7O/c1-16-23(27-19-7-3-2-6-18(19)25-16)21-15-31-24(28-21)20(26-17-8-12-32-13-9-17)14-22(29-31)30-10-4-5-11-30/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3
InChIKeyZVEFJRBOUBHAQK-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine

2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 71278163) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID71278163
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2ccccc2nc1-c1cn2nc(N3CCCC3)cc(NC3CCOCC3)c2n1
InChIInChI=1S/C24H27N7O/c1-16-23(27-19-7-3-2-6-18(19)25-16)21-15-31-24(28-21)20(26-17-8-12-32-13-9-17)14-22(29-31)30-10-4-5-11-30/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3
InChIKeyZVEFJRBOUBHAQK-UHFFFAOYSA-N
XLogP3.84
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-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

Azd-7648
CID 135151360
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
US9266891, III-19
CID 90161075
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
US8969376, 1.003 (HCl)
CID 53374070
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
(R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11247946
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine (CID 71278163) is 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine is Cc1nc2ccccc2nc1-c1cn2nc(N3CCCC3)cc(NC3CCOCC3)c2n1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is ZVEFJRBOUBHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-23(27-19-7-3-2-6-18(19)25-16)21-15-31-24(28-21)20(26-17-8-12-32-13-9-17)14-22(29-31)30-10-4-5-11-30/h2-3,6-7,14-15,17,26H,4-5,8-13H2,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine?
2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 429.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71278163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).