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

C31H33N5O3 — CID 147030732

IUPACN-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccccc1CN1CCCCC1
InChIInChI=1S/C31H33N5O3/c1-21-9-12-25(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)22-10-11-22)17-24(21)18-27(37)26-8-4-3-7-23(26)19-35-15-5-2-6-16-35/h3-4,7-9,12-14,17,20,22H,2,5-6,10-11,15-16,18-19H2,1H3,(H,33,38)
InChIKeyAXNZDNDZCKTGFS-UHFFFAOYSA-N
MW523.64 g/mol
LogP5.59
Rot. Bonds9

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

N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 147030732) 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-[2-(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-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID147030732
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC NameN-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccccc1CN1CCCCC1
InChIInChI=1S/C31H33N5O3/c1-21-9-12-25(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)22-10-11-22)17-24(21)18-27(37)26-8-4-3-7-23(26)19-35-15-5-2-6-16-35/h3-4,7-9,12-14,17,20,22H,2,5-6,10-11,15-16,18-19H2,1H3,(H,33,38)
InChIKeyAXNZDNDZCKTGFS-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

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Related Compounds

N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]benzamide
CID 57441057
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]isonicotinamide
CID 57505530
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 57505784
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-fluorobenzamide
CID 57708543
N-[3-[2-(cyclohexanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708545
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
US11440913, Example 396
CID 155074162
N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 118732121
4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide
CID 155519118

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-methyl-3-[2-oxo-2-[2-(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-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 147030732) is N-[6-[4-methyl-3-[2-oxo-2-[2-(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-[2-(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-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccccc1CN1CCCCC1.
What is the InChIKey of N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is AXNZDNDZCKTGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-21-9-12-25(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)22-10-11-22)17-24(21)18-27(37)26-8-4-3-7-23(26)19-35-15-5-2-6-16-35/h3-4,7-9,12-14,17,20,22H,2,5-6,10-11,15-16,18-19H2,1H3,(H,33,38).
What are the key properties of N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[4-methyl-3-[2-oxo-2-[2-(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-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 147030732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).