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

C26H24FN5O2 — CID 139346171

IUPAC[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1)N1CCCC1
InChIInChI=1S/C26H24FN5O2/c27-22-7-8-24-19(9-12-34-24)21(22)14-30-26-29-13-20(23-15-28-16-32(23)26)17-3-5-18(6-4-17)25(33)31-10-1-2-11-31/h3-8,13,15-16H,1-2,9-12,14H2,(H,29,30)
InChIKeyLEWTUNNIDWPJMR-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.32
Rot. Bonds5

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

[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 139346171) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID139346171
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1)N1CCCC1
InChIInChI=1S/C26H24FN5O2/c27-22-7-8-24-19(9-12-34-24)21(22)14-30-26-29-13-20(23-15-28-16-32(23)26)17-3-5-18(6-4-17)25(33)31-10-1-2-11-31/h3-8,13,15-16H,1-2,9-12,14H2,(H,29,30)
InChIKeyLEWTUNNIDWPJMR-UHFFFAOYSA-N
XLogP4.32
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 139346171) is [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cc1)N1CCCC1.
What is the InChIKey of [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LEWTUNNIDWPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-22-7-8-24-19(9-12-34-24)21(22)14-30-26-29-13-20(23-15-28-16-32(23)26)17-3-5-18(6-4-17)25(33)31-10-1-2-11-31/h3-8,13,15-16H,1-2,9-12,14H2,(H,29,30).
What are the key properties of [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 457.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 139346171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).