6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one

C27H23F3N6O3 — CID 157032285

IUPAC6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc4c(c3)N(CC(F)(F)F)C(=O)C43CC3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C27H23F3N6O3/c1-38-23-18(12-32-25(33-23)39-2)20-11-17(22-31-7-8-36(22)34-20)16-10-15(16)14-3-4-19-21(9-14)35(13-27(28,29)30)24(37)26(19)5-6-26/h3-4,7-9,11-12,15-16H,5-6,10,13H2,1-2H3/t15-,16+/m1/s1
InChIKeyWHIYQTNCCJHRFC-CVEARBPZSA-N
MW536.51 g/mol
LogP4.42
Rot. Bonds6

About 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one

6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 157032285) has the molecular formula C27H23F3N6O3 and a molecular weight of 536.51 g/mol. Its IUPAC name is 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID157032285
Molecular FormulaC27H23F3N6O3
Molecular Weight536.51 g/mol
Exact Mass536.18
IUPAC Name6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc4c(c3)N(CC(F)(F)F)C(=O)C43CC3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C27H23F3N6O3/c1-38-23-18(12-32-25(33-23)39-2)20-11-17(22-31-7-8-36(22)34-20)16-10-15(16)14-3-4-19-21(9-14)35(13-27(28,29)30)24(37)26(19)5-6-26/h3-4,7-9,11-12,15-16H,5-6,10,13H2,1-2H3/t15-,16+/m1/s1
InChIKeyWHIYQTNCCJHRFC-CVEARBPZSA-N
XLogP4.42
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one with MolForge

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

Launch Full Analysis

Related Compounds

6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-5'-fluoro-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157034514
6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclobutane-1,3'-indole]-2'-one
CID 157033601
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 157034538
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034619
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-(2,2,2-trifluoroethoxy)quinoline
CID 157034213
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-4-(2,2,2-trifluoroethoxy)quinoline
CID 157033656
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
6'-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1'-(2,2,3,3,3-pentafluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157034805
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034385

Frequently Asked Questions

What is the IUPAC name of 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one (CID 157032285) is 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc4c(c3)N(CC(F)(F)F)C(=O)C43CC3)c3nccn3n2)c(OC)n1.
What is the InChIKey of 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is WHIYQTNCCJHRFC-CVEARBPZSA-N. The full InChI is InChI=1S/C27H23F3N6O3/c1-38-23-18(12-32-25(33-23)39-2)20-11-17(22-31-7-8-36(22)34-20)16-10-15(16)14-3-4-19-21(9-14)35(13-27(28,29)30)24(37)26(19)5-6-26/h3-4,7-9,11-12,15-16H,5-6,10,13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one?
6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 536.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 157032285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).