1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol

C22H23FN6O2 — CID 155369148

IUPAC1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)O)nc23)n(C)n1
InChIInChI=1S/C22H23FN6O2/c1-12-8-19(28(3)27-12)16-10-25-22(29-11-18(13(2)30)26-21(16)29)24-9-15-14-6-7-31-20(14)5-4-17(15)23/h4-5,8,10-11,13,30H,6-7,9H2,1-3H3,(H,24,25)
InChIKeyDZDBSOHOXMYOPS-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.18
Rot. Bonds5

About 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol

1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol (PubChem CID 155369148) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol
PubChem CID155369148
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)O)nc23)n(C)n1
InChIInChI=1S/C22H23FN6O2/c1-12-8-19(28(3)27-12)16-10-25-22(29-11-18(13(2)30)26-21(16)29)24-9-15-14-6-7-31-20(14)5-4-17(15)23/h4-5,8,10-11,13,30H,6-7,9H2,1-3H3,(H,24,25)
InChIKeyDZDBSOHOXMYOPS-UHFFFAOYSA-N
XLogP3.18
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol 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 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol (CID 155369148) is 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)O)nc23)n(C)n1.
What is the InChIKey of 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol?
The InChIKey is DZDBSOHOXMYOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-12-8-19(28(3)27-12)16-10-25-22(29-11-18(13(2)30)26-21(16)29)24-9-15-14-6-7-31-20(14)5-4-17(15)23/h4-5,8,10-11,13,30H,6-7,9H2,1-3H3,(H,24,25).
What are the key properties of 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol?
1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol has a molecular weight of 422.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 155369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).