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]methyl]azetidin-3-ol

C24H26FN7O2 — CID 155383022

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]methyl]azetidin-3-ol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN4CC(O)C4)nc23)n(C)n1
InChIInChI=1S/C24H26FN7O2/c1-14-7-21(30(2)29-14)19-9-27-24(26-8-18-17-5-6-34-22(17)4-3-20(18)25)32-11-15(28-23(19)32)10-31-12-16(33)13-31/h3-4,7,9,11,16,33H,5-6,8,10,12-13H2,1-2H3,(H,26,27)
InChIKeyGZEWCBIOBFIUKR-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.30
Rot. Bonds6

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]methyl]azetidin-3-ol

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]methyl]azetidin-3-ol (PubChem CID 155383022) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 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]methyl]azetidin-3-ol.

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]methyl]azetidin-3-ol
PubChem CID155383022
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
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]methyl]azetidin-3-ol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN4CC(O)C4)nc23)n(C)n1
InChIInChI=1S/C24H26FN7O2/c1-14-7-21(30(2)29-14)19-9-27-24(26-8-18-17-5-6-34-22(17)4-3-20(18)25)32-11-15(28-23(19)32)10-31-12-16(33)13-31/h3-4,7,9,11,16,33H,5-6,8,10,12-13H2,1-2H3,(H,26,27)
InChIKeyGZEWCBIOBFIUKR-UHFFFAOYSA-N
XLogP2.30
TPSA92.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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]methyl]azetidin-3-ol with MolForge

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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]methyl]azetidin-3-ol?
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]methyl]azetidin-3-ol (CID 155383022) 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]methyl]azetidin-3-ol.
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]methyl]azetidin-3-ol?
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]methyl]azetidin-3-ol is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN4CC(O)C4)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]methyl]azetidin-3-ol?
The InChIKey is GZEWCBIOBFIUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-14-7-21(30(2)29-14)19-9-27-24(26-8-18-17-5-6-34-22(17)4-3-20(18)25)32-11-15(28-23(19)32)10-31-12-16(33)13-31/h3-4,7,9,11,16,33H,5-6,8,10,12-13H2,1-2H3,(H,26,27).
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]methyl]azetidin-3-ol?
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]methyl]azetidin-3-ol has a molecular weight of 463.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]methyl]azetidin-3-ol is sourced from PubChem (CID 155383022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).