5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane

C28H30F2N6O3 — CID 157032187

IUPAC5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane
SMILESCC.CC(F)(F)CN1C(=O)C2(CC2)c2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H13F2NO.C13H11N5O2.C2H6/c1-12(14,15)8-16-10-5-3-2-4-9(10)13(6-7-13)11(16)17;19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-2/h2-5H,6-8H2,1H3;3-7H,1-2H2,(H2,15,16,19,20);1-2H3
InChIKeyBSEBRKSLGLCUDR-UHFFFAOYSA-N
MW536.58 g/mol
LogP4.40
Rot. Bonds4

About 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane (PubChem CID 157032187) has the molecular formula C28H30F2N6O3 and a molecular weight of 536.58 g/mol. Its IUPAC name is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane.

Molecular Properties

Compound Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane
PubChem CID157032187
Molecular FormulaC28H30F2N6O3
Molecular Weight536.58 g/mol
Exact Mass536.23
IUPAC Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane
SMILESCC.CC(F)(F)CN1C(=O)C2(CC2)c2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H13F2NO.C13H11N5O2.C2H6/c1-12(14,15)8-16-10-5-3-2-4-9(10)13(6-7-13)11(16)17;19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-2/h2-5H,6-8H2,1H3;3-7H,1-2H2,(H2,15,16,19,20);1-2H3
InChIKeyBSEBRKSLGLCUDR-UHFFFAOYSA-N
XLogP4.40
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane with MolForge

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Related Compounds

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1-methyl-2-(trifluoromethyl)benzene
CID 157033103
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
CID 157034335
5-[8-[2-[3,3-dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827584
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;3-(trifluoromethyl)-1,2-benzoxazole
CID 157032794
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;5-(trifluoromethyl)pyrimidine
CID 157033131
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033518
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;N-(2,2-difluoroethyl)-2-methanimidoylaniline
CID 157033114
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline
CID 157034934
azetidin-1-yl(phenyl)methanone;5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
CID 157032225
5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034421
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033222

Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane?
The IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane (CID 157032187) is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane.
What is the SMILES notation for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane?
The canonical SMILES for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane is CC.CC(F)(F)CN1C(=O)C2(CC2)c2ccccc21.O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane?
The InChIKey is BSEBRKSLGLCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO.C13H11N5O2.C2H6/c1-12(14,15)8-16-10-5-3-2-4-9(10)13(6-7-13)11(16)17;19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-2/h2-5H,6-8H2,1H3;3-7H,1-2H2,(H2,15,16,19,20);1-2H3.
What are the key properties of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane?
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane has a molecular weight of 536.58 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;1'-(2,2-difluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one;ethane is sourced from PubChem (CID 157032187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).