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

C17H14F5N7O3 — CID 177343600

IUPAC4-(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
SMILESO=C(NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1)c1nonc1C(F)F
InChIInChI=1S/C17H14F5N7O3/c18-14(19)12-13(28-32-27-12)16(31)23-5-9-6-29-11(25-9)2-7(4-24-29)1-8-3-10(17(20,21)22)26-15(8)30/h2,4,6,8,10,14H,1,3,5H2,(H,23,31)(H,26,30)
InChIKeyCWKLHKSPGPFYAC-UHFFFAOYSA-N
MW459.34 g/mol
LogP1.59
Rot. Bonds6

About 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

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 (PubChem CID 177343600) has the molecular formula C17H14F5N7O3 and a molecular weight of 459.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID177343600
Molecular FormulaC17H14F5N7O3
Molecular Weight459.34 g/mol
Exact Mass459.11
IUPAC Name4-(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
SMILESO=C(NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1)c1nonc1C(F)F
InChIInChI=1S/C17H14F5N7O3/c18-14(19)12-13(28-32-27-12)16(31)23-5-9-6-29-11(25-9)2-7(4-24-29)1-8-3-10(17(20,21)22)26-15(8)30/h2,4,6,8,10,14H,1,3,5H2,(H,23,31)(H,26,30)
InChIKeyCWKLHKSPGPFYAC-UHFFFAOYSA-N
XLogP1.59
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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
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
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
N-[(4,4-difluorocyclohexyl)-[7-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(difluoromethyl)-1,2,5-oxadiazole-3-carboxamide
CID 154984172
(3S,5S)-3-[[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 170340003
N-[(S)-(4,4-difluorocyclohexyl)-[7-[[(3S,5S)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(difluoromethyl)-1,2,5-oxadiazole-3-carboxamide
CID 177343638
N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166825449
N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide
CID 166825657
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
N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 170340399
N-[(S)-(4,4-difluorocyclohexyl)-[6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(difluoromethyl)-1,2,5-oxadiazole-3-carboxamide
CID 170339696
N-[(S)-[7-[[(3S,5S)-3-(aminomethyl)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-cyclopropyl-1,2,5-oxadiazole-3-carboxamide
CID 177343542

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1)c1nonc1C(F)F.
What is the InChIKey of 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?
The InChIKey is CWKLHKSPGPFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N7O3/c18-14(19)12-13(28-32-27-12)16(31)23-5-9-6-29-11(25-9)2-7(4-24-29)1-8-3-10(17(20,21)22)26-15(8)30/h2,4,6,8,10,14H,1,3,5H2,(H,23,31)(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 459.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177343600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).