5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile

C21H16FN7O2 — CID 157033778

IUPAC5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(C#N)nc3)c3ncc(F)n3n2)c(OC)n1
InChIInChI=1S/C21H16FN7O2/c1-30-20-16(9-26-21(27-20)31-2)17-6-15(19-25-10-18(22)29(19)28-17)14-5-13(14)11-3-4-12(7-23)24-8-11/h3-4,6,8-10,13-14H,5H2,1-2H3/t13-,14+/m1/s1
InChIKeyXAGUEMHPAHTZGE-KGLIPLIRSA-N
MW417.40 g/mol
LogP2.88
Rot. Bonds5

About 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile

5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile (PubChem CID 157033778) has the molecular formula C21H16FN7O2 and a molecular weight of 417.40 g/mol. Its IUPAC name is 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile
PubChem CID157033778
Molecular FormulaC21H16FN7O2
Molecular Weight417.40 g/mol
Exact Mass417.13
IUPAC Name5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(C#N)nc3)c3ncc(F)n3n2)c(OC)n1
InChIInChI=1S/C21H16FN7O2/c1-30-20-16(9-26-21(27-20)31-2)17-6-15(19-25-10-18(22)29(19)28-17)14-5-13(14)11-3-4-12(7-23)24-8-11/h3-4,6,8-10,13-14H,5H2,1-2H3/t13-,14+/m1/s1
InChIKeyXAGUEMHPAHTZGE-KGLIPLIRSA-N
XLogP2.88
TPSA111.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile 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-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2S)-2-[3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032941
6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2S)-2-[3-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)benzimidazol-5-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 170687633
6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[(1S,2R)-2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 174040197
6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoro-8-[2-[1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 166826727
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-3-carbonitrile
CID 157034029
8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034385
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile
CID 174040149

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile (CID 157033778) is 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(C#N)nc3)c3ncc(F)n3n2)c(OC)n1.
What is the InChIKey of 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile?
The InChIKey is XAGUEMHPAHTZGE-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H16FN7O2/c1-30-20-16(9-26-21(27-20)31-2)17-6-15(19-25-10-18(22)29(19)28-17)14-5-13(14)11-3-4-12(7-23)24-8-11/h3-4,6,8-10,13-14H,5H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile?
5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile has a molecular weight of 417.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-2-carbonitrile is sourced from PubChem (CID 157033778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).