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

C24H21F3N6O2 — CID 139465943

IUPACN-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccc(C(F)(F)F)cc4)nc23)CCO1
InChIInChI=1S/C24H21F3N6O2/c1-15-13-32(10-11-35-15)21-7-8-28-12-19(21)31-23(34)18-6-9-29-33-14-20(30-22(18)33)16-2-4-17(5-3-16)24(25,26)27/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,34)
InChIKeyWWEHEGICBBJKLI-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.29
Rot. Bonds4

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

N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 139465943) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID139465943
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC NameN-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccc(C(F)(F)F)cc4)nc23)CCO1
InChIInChI=1S/C24H21F3N6O2/c1-15-13-32(10-11-35-15)21-7-8-28-12-19(21)31-23(34)18-6-9-29-33-14-20(30-22(18)33)16-2-4-17(5-3-16)24(25,26)27/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,34)
InChIKeyWWEHEGICBBJKLI-UHFFFAOYSA-N
XLogP4.29
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

BI-1935
CID 57861407
Jqez5
CID 121322599
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)-6-(1,1,1-trifluoro-2-methylpropan-2-ylamino)imidazo(1,2-b)pyridazin-3-yl)benzamide
CID 66603863
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CID 134551592
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
CID 57378176
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
4-(azetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538147
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 139465943) is N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide is CC1CN(c2ccncc2NC(=O)c2ccnn3cc(-c4ccc(C(F)(F)F)cc4)nc23)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is WWEHEGICBBJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-15-13-32(10-11-35-15)21-7-8-28-12-19(21)31-23(34)18-6-9-29-33-14-20(30-22(18)33)16-2-4-17(5-3-16)24(25,26)27/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,34).
What are the key properties of N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 139465943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).