N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C24H26F5N7O3 — CID 164525042

IUPACN-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC(c1cn2ncc(C(CC(F)F)C(=O)NCC(F)(F)F)cc2n1)C(C1CC1)C1CC1
InChIInChI=1S/C24H26F5N7O3/c1-11-20(35-39-34-11)23(38)33-21(19(12-2-3-12)13-4-5-13)16-9-36-18(32-16)6-14(8-31-36)15(7-17(25)26)22(37)30-10-24(27,28)29/h6,8-9,12-13,15,17,19,21H,2-5,7,10H2,1H3,(H,30,37)(H,33,38)
InChIKeyGNPSKPWNRDUFCX-UHFFFAOYSA-N
MW555.51 g/mol
LogP3.75
Rot. Bonds11

About N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 164525042) has the molecular formula C24H26F5N7O3 and a molecular weight of 555.51 g/mol. Its IUPAC name is N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID164525042
Molecular FormulaC24H26F5N7O3
Molecular Weight555.51 g/mol
Exact Mass555.20
IUPAC NameN-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC(c1cn2ncc(C(CC(F)F)C(=O)NCC(F)(F)F)cc2n1)C(C1CC1)C1CC1
InChIInChI=1S/C24H26F5N7O3/c1-11-20(35-39-34-11)23(38)33-21(19(12-2-3-12)13-4-5-13)16-9-36-18(32-16)6-14(8-31-36)15(7-17(25)26)22(37)30-10-24(27,28)29/h6,8-9,12-13,15,17,19,21H,2-5,7,10H2,1H3,(H,30,37)(H,33,38)
InChIKeyGNPSKPWNRDUFCX-UHFFFAOYSA-N
XLogP3.75
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 164525042) is N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC(c1cn2ncc(C(CC(F)F)C(=O)NCC(F)(F)F)cc2n1)C(C1CC1)C1CC1.
What is the InChIKey of N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GNPSKPWNRDUFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F5N7O3/c1-11-20(35-39-34-11)23(38)33-21(19(12-2-3-12)13-4-5-13)16-9-36-18(32-16)6-14(8-31-36)15(7-17(25)26)22(37)30-10-24(27,28)29/h6,8-9,12-13,15,17,19,21H,2-5,7,10H2,1H3,(H,30,37)(H,33,38).
What are the key properties of N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 555.51 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 164525042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).