5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile

C25H23FN8O — CID 139346196

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESN#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCNCC4)nc3)c12
InChIInChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)
InChIKeyIFVFSVNBFOUDSB-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.76
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile (PubChem CID 139346196) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile
PubChem CID139346196
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESN#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCNCC4)nc3)c12
InChIInChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)
InChIKeyIFVFSVNBFOUDSB-UHFFFAOYSA-N
XLogP2.76
TPSA103.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile (CID 139346196) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile is N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCNCC4)nc3)c12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The InChIKey is IFVFSVNBFOUDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile has a molecular weight of 470.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 139346196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).