5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C20H16FN5O2 — CID 166827133

IUPAC5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)c1F
InChIInChI=1S/C20H16FN5O2/c1-10-3-2-4-11(17(10)21)12-7-13(12)14-8-16(25-26-6-5-22-18(14)26)15-9-23-20(28)24-19(15)27/h2-6,8-9,12-13H,7H2,1H3,(H2,23,24,27,28)/t12-,13+/m1/s1
InChIKeyXFNOLFHMLAWFPV-OLZOCXBDSA-N
MW377.38 g/mol
LogP2.49
Rot. Bonds3

About 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166827133) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID166827133
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)c1F
InChIInChI=1S/C20H16FN5O2/c1-10-3-2-4-11(17(10)21)12-7-13(12)14-8-16(25-26-6-5-22-18(14)26)15-9-23-20(28)24-19(15)27/h2-6,8-9,12-13H,7H2,1H3,(H2,23,24,27,28)/t12-,13+/m1/s1
InChIKeyXFNOLFHMLAWFPV-OLZOCXBDSA-N
XLogP2.49
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 166827133) is 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is Cc1cccc([C@H]2C[C@@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)c1F.
What is the InChIKey of 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XFNOLFHMLAWFPV-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-10-3-2-4-11(17(10)21)12-7-13(12)14-8-16(25-26-6-5-22-18(14)26)15-9-23-20(28)24-19(15)27/h2-6,8-9,12-13H,7H2,1H3,(H2,23,24,27,28)/t12-,13+/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 377.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166827133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).