N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide

C22H26N6O — CID 53358639

IUPACN-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
SMILESCN1CCC(Nc2ccc3ncc(-c4cccc(NC(=O)C5CC5)c4)n3n2)CC1
InChIInChI=1S/C22H26N6O/c1-27-11-9-17(10-12-27)24-20-7-8-21-23-14-19(28(21)26-20)16-3-2-4-18(13-16)25-22(29)15-5-6-15/h2-4,7-8,13-15,17H,5-6,9-12H2,1H3,(H,24,26)(H,25,29)
InChIKeyIXQHPSGHQLDGHU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.25
Rot. Bonds5

About N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide

N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide (PubChem CID 53358639) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
PubChem CID53358639
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
SMILESCN1CCC(Nc2ccc3ncc(-c4cccc(NC(=O)C5CC5)c4)n3n2)CC1
InChIInChI=1S/C22H26N6O/c1-27-11-9-17(10-12-27)24-20-7-8-21-23-14-19(28(21)26-20)16-3-2-4-18(13-16)25-22(29)15-5-6-15/h2-4,7-8,13-15,17H,5-6,9-12H2,1H3,(H,24,26)(H,25,29)
InChIKeyIXQHPSGHQLDGHU-UHFFFAOYSA-N
XLogP3.25
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide (CID 53358639) is N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide is CN1CCC(Nc2ccc3ncc(-c4cccc(NC(=O)C5CC5)c4)n3n2)CC1.
What is the InChIKey of N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is IXQHPSGHQLDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-27-11-9-17(10-12-27)24-20-7-8-21-23-14-19(28(21)26-20)16-3-2-4-18(13-16)25-22(29)15-5-6-15/h2-4,7-8,13-15,17H,5-6,9-12H2,1H3,(H,24,26)(H,25,29).
What are the key properties of N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide?
N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(1-methylpiperidin-4-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 53358639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).