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

C21H21FN6O2 — CID 155369194

IUPAC[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)n(C)n1
InChIInChI=1S/C21H21FN6O2/c1-12-7-18(27(2)26-12)16-9-24-21(28-10-13(11-29)25-20(16)28)23-8-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,9-10,29H,5-6,8,11H2,1-2H3,(H,23,24)
InChIKeyMVVTWFGQXKRKAK-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.62
Rot. Bonds5

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

[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol (PubChem CID 155369194) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol
PubChem CID155369194
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)n(C)n1
InChIInChI=1S/C21H21FN6O2/c1-12-7-18(27(2)26-12)16-9-24-21(28-10-13(11-29)25-20(16)28)23-8-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,9-10,29H,5-6,8,11H2,1-2H3,(H,23,24)
InChIKeyMVVTWFGQXKRKAK-UHFFFAOYSA-N
XLogP2.62
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
The IUPAC name of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol (CID 155369194) is [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol.
What is the SMILES notation for [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
The canonical SMILES for [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CO)nc23)n(C)n1.
What is the InChIKey of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
The InChIKey is MVVTWFGQXKRKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-12-7-18(27(2)26-12)16-9-24-21(28-10-13(11-29)25-20(16)28)23-8-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,9-10,29H,5-6,8,11H2,1-2H3,(H,23,24).
What are the key properties of [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol?
[8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol has a molecular weight of 408.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 155369194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).