N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine

C25H24FN5O — CID 139346193

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346193) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine
• PubChem CID: 139346193
• Molecular Formula: C25H24FN5O
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.20
• IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine
• SMILES: CN1CCc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cc2C1
• InChI: InChI=1S/C25H24FN5O/c1-30-8-6-16-2-3-17(10-18(16)14-30)20-11-28-25(31-15-27-13-23(20)31)29-12-21-19-7-9-32-24(19)5-4-22(21)26/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,28,29)
• InChIKey: KIEBZMWIHCBGME-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 54.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine?

The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346193) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine is CN1CCc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cc2C1.

What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine?

The InChIKey is KIEBZMWIHCBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-30-8-6-16-2-3-17(10-18(16)14-30)20-11-28-25(31-15-27-13-23(20)31)29-12-21-19-7-9-32-24(19)5-4-22(21)26/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,28,29).

What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine?

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 429.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).