5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C19H21F3N6O2 — CID 171368662

IUPAC5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(c2cc(C3CNC(=O)NC3=O)nn3c(F)c(C4CC4)nc23)CC1(F)F
InChIInChI=1S/C19H21F3N6O2/c1-18(2)7-27(8-19(18,21)22)12-5-11(10-6-23-17(30)25-16(10)29)26-28-14(20)13(9-3-4-9)24-15(12)28/h5,9-10H,3-4,6-8H2,1-2H3,(H2,23,25,29,30)
InChIKeyUVBLROIBICFHIP-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.15
Rot. Bonds3

About 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368662) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368662
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(c2cc(C3CNC(=O)NC3=O)nn3c(F)c(C4CC4)nc23)CC1(F)F
InChIInChI=1S/C19H21F3N6O2/c1-18(2)7-27(8-19(18,21)22)12-5-11(10-6-23-17(30)25-16(10)29)26-28-14(20)13(9-3-4-9)24-15(12)28/h5,9-10H,3-4,6-8H2,1-2H3,(H2,23,25,29,30)
InChIKeyUVBLROIBICFHIP-UHFFFAOYSA-N
XLogP2.15
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368662) is 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is CC1(C)CN(c2cc(C3CNC(=O)NC3=O)nn3c(F)c(C4CC4)nc23)CC1(F)F.
What is the InChIKey of 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is UVBLROIBICFHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-18(2)7-27(8-19(18,21)22)12-5-11(10-6-23-17(30)25-16(10)29)26-28-14(20)13(9-3-4-9)24-15(12)28/h5,9-10H,3-4,6-8H2,1-2H3,(H2,23,25,29,30).
What are the key properties of 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 422.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).