N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide

C15H13F3N6O — CID 59252057

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
SMILESCCC(=O)Nc1cn2nc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C15H13F3N6O/c1-2-13(25)22-11-7-24-12(21-11)4-3-10(23-24)8-5-9(15(16,17)18)14(19)20-6-8/h3-7H,2H2,1H3,(H2,19,20)(H,22,25)
InChIKeyCPVNKDGFLSOZHA-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.74
Rot. Bonds3

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide (PubChem CID 59252057) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
PubChem CID59252057
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
SMILESCCC(=O)Nc1cn2nc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C15H13F3N6O/c1-2-13(25)22-11-7-24-12(21-11)4-3-10(23-24)8-5-9(15(16,17)18)14(19)20-6-8/h3-7H,2H2,1H3,(H2,19,20)(H,22,25)
InChIKeyCPVNKDGFLSOZHA-UHFFFAOYSA-N
XLogP2.74
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-ethoxyacetamide
CID 59251744
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-(methylamino)acetamide
CID 59252003
tert-butyl N-[2-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]amino]-2-oxoethyl]carbamate
CID 59251943
1-[(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propyl]-3-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]urea
CID 172943189
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251850
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methylamino)acetamide
CID 59251961
N-[5,6-bis[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251956
5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one
CID 91801791
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
CID 71171122
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
CID 68528343
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-4-fluorobenzamide
CID 59252002
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-5-(carbamoylamino)pentanamide;ethane
CID 143527821

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide (CID 59252057) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide is CCC(=O)Nc1cn2nc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
The InChIKey is CPVNKDGFLSOZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c1-2-13(25)22-11-7-24-12(21-11)4-3-10(23-24)8-5-9(15(16,17)18)14(19)20-6-8/h3-7H,2H2,1H3,(H2,19,20)(H,22,25).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide has a molecular weight of 350.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide is sourced from PubChem (CID 59252057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).