N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide

C22H23N7O — CID 131923117

IUPACN-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CN3CCN(c4ccc5nccn5n4)CC3)ccc2c1
InChIInChI=1S/C22H23N7O/c1-16(30)24-18-4-5-20-17(14-18)2-3-19(25-20)15-27-10-12-28(13-11-27)22-7-6-21-23-8-9-29(21)26-22/h2-9,14H,10-13,15H2,1H3,(H,24,30)
InChIKeyQHWXXTDMTMFSCS-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.56
Rot. Bonds4

About N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide

N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide (PubChem CID 131923117) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide
PubChem CID131923117
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CN3CCN(c4ccc5nccn5n4)CC3)ccc2c1
InChIInChI=1S/C22H23N7O/c1-16(30)24-18-4-5-20-17(14-18)2-3-19(25-20)15-27-10-12-28(13-11-27)22-7-6-21-23-8-9-29(21)26-22/h2-9,14H,10-13,15H2,1H3,(H,24,30)
InChIKeyQHWXXTDMTMFSCS-UHFFFAOYSA-N
XLogP2.56
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide (CID 131923117) is N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(CN3CCN(c4ccc5nccn5n4)CC3)ccc2c1.
What is the InChIKey of N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide?
The InChIKey is QHWXXTDMTMFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-16(30)24-18-4-5-20-17(14-18)2-3-19(25-20)15-27-10-12-28(13-11-27)22-7-6-21-23-8-9-29(21)26-22/h2-9,14H,10-13,15H2,1H3,(H,24,30).
What are the key properties of N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide?
N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 131923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).