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

C22H20FN5O2 — CID 139346070

IUPAC2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol
SMILESOCCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C22H20FN5O2/c23-19-3-4-21-16(6-8-30-21)18(19)11-27-22-26-10-17(20-12-24-13-28(20)22)14-1-2-15(5-7-29)25-9-14/h1-4,9-10,12-13,29H,5-8,11H2,(H,26,27)
InChIKeyQHENLGFWWQELIQ-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.01
Rot. Bonds6

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

2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol (PubChem CID 139346070) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol
PubChem CID139346070
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol
SMILESOCCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C22H20FN5O2/c23-19-3-4-21-16(6-8-30-21)18(19)11-27-22-26-10-17(20-12-24-13-28(20)22)14-1-2-15(5-7-29)25-9-14/h1-4,9-10,12-13,29H,5-8,11H2,(H,26,27)
InChIKeyQHENLGFWWQELIQ-UHFFFAOYSA-N
XLogP3.01
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol?
The IUPAC name of 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol (CID 139346070) is 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol is OCCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1.
What is the InChIKey of 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol?
The InChIKey is QHENLGFWWQELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-19-3-4-21-16(6-8-30-21)18(19)11-27-22-26-10-17(20-12-24-13-28(20)22)14-1-2-15(5-7-29)25-9-14/h1-4,9-10,12-13,29H,5-8,11H2,(H,26,27).
What are the key properties of 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol?
2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol has a molecular weight of 405.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 139346070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).