N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C31H33N5O3 — CID 147500301

IUPACN-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C31H33N5O3/c1-21-8-11-26(39-30-13-12-29-32-28(20-36(29)34-30)33-31(38)23-9-10-23)17-25(21)18-27(37)24-7-5-6-22(16-24)19-35-14-3-2-4-15-35/h5-8,11-13,16-17,20,23H,2-4,9-10,14-15,18-19H2,1H3,(H,33,38)
InChIKeyFHGXXRWEYTVLEE-UHFFFAOYSA-N
MW523.64 g/mol
LogP5.59
Rot. Bonds9

About N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 147500301) has the molecular formula C31H33N5O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID147500301
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC NameN-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C31H33N5O3/c1-21-8-11-26(39-30-13-12-29-32-28(20-36(29)34-30)33-31(38)23-9-10-23)17-25(21)18-27(37)24-7-5-6-22(16-24)19-35-14-3-2-4-15-35/h5-8,11-13,16-17,20,23H,2-4,9-10,14-15,18-19H2,1H3,(H,33,38)
InChIKeyFHGXXRWEYTVLEE-UHFFFAOYSA-N
XLogP5.59
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-Cyclopropyl-2-Methyl-4-(7-{[2-(Morpholin-4-Yl)ethyl]amino}-5-Phenoxypyrazolo[1,5-A]pyrimidin-3-Yl)benzamide
CID 90176196
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide
CID 57386061
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 57505784
N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 90176154
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 156597954
US9555022, Example 02.07
CID 68002488
N-cyclopropyl-4-[6-[1-(4-methoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735274
US11440913, Example 396
CID 155074162
US11440913, Example 424
CID 155089163
US11440913, Example 379
CID 155090221

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 147500301) is N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is FHGXXRWEYTVLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-21-8-11-26(39-30-13-12-29-32-28(20-36(29)34-30)33-31(38)23-9-10-23)17-25(21)18-27(37)24-7-5-6-22(16-24)19-35-14-3-2-4-15-35/h5-8,11-13,16-17,20,23H,2-4,9-10,14-15,18-19H2,1H3,(H,33,38).
What are the key properties of N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 523.64 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 147500301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).