[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate

C20H17F3N6O5 — CID 171368478

IUPAC[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate
SMILESO=C1NCC(c2cc(OCC(F)(F)COC(=O)Nc3ccccc3F)c3nccn3n2)C(=O)N1
InChIInChI=1S/C20H17F3N6O5/c21-12-3-1-2-4-13(12)26-19(32)34-10-20(22,23)9-33-15-7-14(28-29-6-5-24-16(15)29)11-8-25-18(31)27-17(11)30/h1-7,11H,8-10H2,(H,26,32)(H2,25,27,30,31)
InChIKeyUBIZJOUJSCEERZ-UHFFFAOYSA-N
MW478.39 g/mol
LogP2.05
Rot. Bonds7

About [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate

[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate (PubChem CID 171368478) has the molecular formula C20H17F3N6O5 and a molecular weight of 478.39 g/mol. Its IUPAC name is [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate
PubChem CID171368478
Molecular FormulaC20H17F3N6O5
Molecular Weight478.39 g/mol
Exact Mass478.12
IUPAC Name[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate
SMILESO=C1NCC(c2cc(OCC(F)(F)COC(=O)Nc3ccccc3F)c3nccn3n2)C(=O)N1
InChIInChI=1S/C20H17F3N6O5/c21-12-3-1-2-4-13(12)26-19(32)34-10-20(22,23)9-33-15-7-14(28-29-6-5-24-16(15)29)11-8-25-18(31)27-17(11)30/h1-7,11H,8-10H2,(H,26,32)(H2,25,27,30,31)
InChIKeyUBIZJOUJSCEERZ-UHFFFAOYSA-N
XLogP2.05
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368859
5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368319
5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368706
[3-[6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2,4-difluorophenyl)carbamate
CID 157034052
5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171362427
5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368471
methyl 3-[1-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]benzoate
CID 171368505
5-[8-[(1S,2S)-2-[5-(3,3,3-trifluoropropyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368837
[(3S)-1-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl] N-[(2R)-1-methoxypropan-2-yl]carbamate
CID 171368763
5-[8-[2,2-difluoroethyl-[(4-ethylphenyl)methyl]amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368855
(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134411870
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate?
The IUPAC name of [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate (CID 171368478) is [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate.
What is the SMILES notation for [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate?
The canonical SMILES for [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate is O=C1NCC(c2cc(OCC(F)(F)COC(=O)Nc3ccccc3F)c3nccn3n2)C(=O)N1.
What is the InChIKey of [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate?
The InChIKey is UBIZJOUJSCEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O5/c21-12-3-1-2-4-13(12)26-19(32)34-10-20(22,23)9-33-15-7-14(28-29-6-5-24-16(15)29)11-8-25-18(31)27-17(11)30/h1-7,11H,8-10H2,(H,26,32)(H2,25,27,30,31).
What are the key properties of [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate?
[3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate has a molecular weight of 478.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 171368478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).