N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

C20H22F3N7O2 — CID 118119457

IUPACN,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(N3CCCC3=O)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C20H22F3N7O2/c1-11-17(20(21,22)23)26-18-13(19(32)24-2)9-12(27-30(11)18)6-7-14-25-15(10-28(14)3)29-8-4-5-16(29)31/h9-10H,4-8H2,1-3H3,(H,24,32)
InChIKeyXWWGYINCOUWTIZ-UHFFFAOYSA-N
MW449.44 g/mol
LogP2.06
Rot. Bonds5

About N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 118119457) has the molecular formula C20H22F3N7O2 and a molecular weight of 449.44 g/mol. Its IUPAC name is N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID118119457
Molecular FormulaC20H22F3N7O2
Molecular Weight449.44 g/mol
Exact Mass449.18
IUPAC NameN,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(N3CCCC3=O)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C20H22F3N7O2/c1-11-17(20(21,22)23)26-18-13(19(32)24-2)9-12(27-30(11)18)6-7-14-25-15(10-28(14)3)29-8-4-5-16(29)31/h9-10H,4-8H2,1-3H3,(H,24,32)
InChIKeyXWWGYINCOUWTIZ-UHFFFAOYSA-N
XLogP2.06
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 118119457) is N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is CNC(=O)c1cc(CCc2nc(N3CCCC3=O)cn2C)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is XWWGYINCOUWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O2/c1-11-17(20(21,22)23)26-18-13(19(32)24-2)9-12(27-30(11)18)6-7-14-25-15(10-28(14)3)29-8-4-5-16(29)31/h9-10H,4-8H2,1-3H3,(H,24,32).
What are the key properties of N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-[2-[1-methyl-4-(2-oxopyrrolidin-1-yl)imidazol-2-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 118119457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).