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

C19H18F5N5O2 — CID 177343507

IUPAC2,2-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
SMILESO=C1NC(C(F)(F)F)CC1Cc1cnn2cc(CNC(=O)C3CC34CC4(F)F)nc2c1
InChIInChI=1S/C19H18F5N5O2/c20-18(21)8-17(18)4-12(17)16(31)25-6-11-7-29-14(27-11)2-9(5-26-29)1-10-3-13(19(22,23)24)28-15(10)30/h2,5,7,10,12-13H,1,3-4,6,8H2,(H,25,31)(H,28,30)
InChIKeyCBZYNTLELGGJLY-UHFFFAOYSA-N
MW443.38 g/mol
LogP2.00
Rot. Bonds5

About 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

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 (PubChem CID 177343507) has the molecular formula C19H18F5N5O2 and a molecular weight of 443.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID177343507
Molecular FormulaC19H18F5N5O2
Molecular Weight443.38 g/mol
Exact Mass443.14
IUPAC Name2,2-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
SMILESO=C1NC(C(F)(F)F)CC1Cc1cnn2cc(CNC(=O)C3CC34CC4(F)F)nc2c1
InChIInChI=1S/C19H18F5N5O2/c20-18(21)8-17(18)4-12(17)16(31)25-6-11-7-29-14(27-11)2-9(5-26-29)1-10-3-13(19(22,23)24)28-15(10)30/h2,5,7,10,12-13H,1,3-4,6,8H2,(H,25,31)(H,28,30)
InChIKeyCBZYNTLELGGJLY-UHFFFAOYSA-N
XLogP2.00
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropanecarboxamide
CID 177343511
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
1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane
CID 177343652
[(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
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
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
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
3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine
CID 157031026
(3R,5S)-3-[(6-aminopyridazin-3-yl)methyl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 170340267
(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
4-amino-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 166825252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1NC(C(F)(F)F)CC1Cc1cnn2cc(CNC(=O)C3CC34CC4(F)F)nc2c1.
What is the InChIKey of 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?
The InChIKey is CBZYNTLELGGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N5O2/c20-18(21)8-17(18)4-12(17)16(31)25-6-11-7-29-14(27-11)2-9(5-26-29)1-10-3-13(19(22,23)24)28-15(10)30/h2,5,7,10,12-13H,1,3-4,6,8H2,(H,25,31)(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 443.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177343507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).