cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate

C20H20F2N6O4 — CID 157032257

IUPACcyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate
SMILESO=C(CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1(F)F)OCC1CC1
InChIInChI=1S/C20H20F2N6O4/c21-20(22)10-27(8-12(20)5-16(29)32-9-11-1-2-11)15-6-14(26-28-4-3-23-17(15)28)13-7-24-19(31)25-18(13)30/h3-4,6-7,11-12H,1-2,5,8-10H2,(H2,24,25,30,31)
InChIKeyLIUHPAZBFASMCU-UHFFFAOYSA-N
MW446.41 g/mol
LogP1.19
Rot. Bonds6

About cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate

cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate (PubChem CID 157032257) has the molecular formula C20H20F2N6O4 and a molecular weight of 446.41 g/mol. Its IUPAC name is cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate
PubChem CID157032257
Molecular FormulaC20H20F2N6O4
Molecular Weight446.41 g/mol
Exact Mass446.15
IUPAC Namecyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate
SMILESO=C(CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1(F)F)OCC1CC1
InChIInChI=1S/C20H20F2N6O4/c21-20(22)10-27(8-12(20)5-16(29)32-9-11-1-2-11)15-6-14(26-28-4-3-23-17(15)28)13-7-24-19(31)25-18(13)30/h3-4,6-7,11-12H,1-2,5,8-10H2,(H2,24,25,30,31)
InChIKeyLIUHPAZBFASMCU-UHFFFAOYSA-N
XLogP1.19
TPSA125.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate with MolForge

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Related Compounds

N-(1-bicyclo[1.1.1]pentanyl)-2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetamide
CID 157033008
5-[8-[4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033928
6-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034403
5-[8-[8,8-difluoro-2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.4]octan-6-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032977
5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032251
5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033011
5-[8-[(4S)-3,3-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032647
5-[8-(3-prop-2-ynylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035090
5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035179
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
CID 157033371
5-[8-[(3S,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032616

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate?
The IUPAC name of cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate (CID 157032257) is cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate.
What is the SMILES notation for cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate?
The canonical SMILES for cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate is O=C(CC1CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)CC1(F)F)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate?
The InChIKey is LIUHPAZBFASMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O4/c21-20(22)10-27(8-12(20)5-16(29)32-9-11-1-2-11)15-6-14(26-28-4-3-23-17(15)28)13-7-24-19(31)25-18(13)30/h3-4,6-7,11-12H,1-2,5,8-10H2,(H2,24,25,30,31).
What are the key properties of cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate?
cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate has a molecular weight of 446.41 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]acetate is sourced from PubChem (CID 157032257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).