N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine

C22H24N8 — CID 66549109

IUPACN-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(Nc5cnccn5)cc4)n3n2)CC1
InChIInChI=1S/C22H24N8/c1-29-12-8-18(9-13-29)26-20-6-7-22-25-14-19(30(22)28-20)16-2-4-17(5-3-16)27-21-15-23-10-11-24-21/h2-7,10-11,14-15,18H,8-9,12-13H2,1H3,(H,24,27)(H,26,28)
InChIKeyFSAUDRQRFCJRHZ-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.44
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66549109) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66549109
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC NameN-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(Nc5cnccn5)cc4)n3n2)CC1
InChIInChI=1S/C22H24N8/c1-29-12-8-18(9-13-29)26-20-6-7-22-25-14-19(30(22)28-20)16-2-4-17(5-3-16)27-21-15-23-10-11-24-21/h2-7,10-11,14-15,18H,8-9,12-13H2,1H3,(H,24,27)(H,26,28)
InChIKeyFSAUDRQRFCJRHZ-UHFFFAOYSA-N
XLogP3.44
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine 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-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 66549109) is N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5cnccn5)cc4)n3n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FSAUDRQRFCJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-29-12-8-18(9-13-29)26-20-6-7-22-25-14-19(30(22)28-20)16-2-4-17(5-3-16)27-21-15-23-10-11-24-21/h2-7,10-11,14-15,18H,8-9,12-13H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 400.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66549109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).