N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide

C23H19F3N6O2 — CID 134551606

IUPACN-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)16-3-1-15(2-4-16)19-14-32-21(29-19)17(5-8-28-32)22(33)30-18-13-27-7-6-20(18)31-9-11-34-12-10-31/h1-8,13-14H,9-12H2,(H,30,33)
InChIKeyPICRXLQEOXMWHZ-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.90
Rot. Bonds4

About N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide

N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551606) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551606
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC NameN-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)16-3-1-15(2-4-16)19-14-32-21(29-19)17(5-8-28-32)22(33)30-18-13-27-7-6-20(18)31-9-11-34-12-10-31/h1-8,13-14H,9-12H2,(H,30,33)
InChIKeyPICRXLQEOXMWHZ-UHFFFAOYSA-N
XLogP3.90
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 44182308
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4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 134551606) is N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is PICRXLQEOXMWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-23(25,26)16-3-1-15(2-4-16)19-14-32-21(29-19)17(5-8-28-32)22(33)30-18-13-27-7-6-20(18)31-9-11-34-12-10-31/h1-8,13-14H,9-12H2,(H,30,33).
What are the key properties of N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).