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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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).