N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide

C17H18F3N5O2 — CID 177343511

IUPACN-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1)C1CC1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)13-5-11(16(27)24-13)3-9-4-14-23-12(8-25(14)22-6-9)7-21-15(26)10-1-2-10/h4,6,8,10-11,13H,1-3,5,7H2,(H,21,26)(H,24,27)
InChIKeyWYVLGAQSUVSEQI-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.37
Rot. Bonds5

About N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide

N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 177343511) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide
PubChem CID177343511
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC NameN-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1)C1CC1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)13-5-11(16(27)24-13)3-9-4-14-23-12(8-25(14)22-6-9)7-21-15(26)10-1-2-10/h4,6,8,10-11,13H,1-3,5,7H2,(H,21,26)(H,24,27)
InChIKeyWYVLGAQSUVSEQI-UHFFFAOYSA-N
XLogP1.37
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]spiro[2.2]pentane-5-carboxamide
CID 177343507
4-(difluoromethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 177343600
N-[(1S)-2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
CID 170339777
N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
CID 170339785
4-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157030931
[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid
CID 170340258
[(S)-(4,4-difluorocyclohexyl)-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
CID 170339530
3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031844
4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 157030510
(3R,5S)-3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 170339846
N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166825449
tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
CID 157031608

Frequently Asked Questions

What is the IUPAC name of N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide (CID 177343511) is N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1)C1CC1.
What is the InChIKey of N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is WYVLGAQSUVSEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)13-5-11(16(27)24-13)3-9-4-14-23-12(8-25(14)22-6-9)7-21-15(26)10-1-2-10/h4,6,8,10-11,13H,1-3,5,7H2,(H,21,26)(H,24,27).
What are the key properties of N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide?
N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 381.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 177343511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).