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

C24H22FN7O2 — CID 139346162

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCCC(O)c1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
InChIInChI=1S/C24H22FN7O2/c1-3-20(33)23-27-9-15(13(2)31-23)17-11-29-24(32-12-30-19(8-26)22(17)32)28-10-16-14-6-7-34-21(14)5-4-18(16)25/h4-5,9,11-12,20,33H,3,6-7,10H2,1-2H3,(H,28,29)
InChIKeyISMVKBKKWVUXRX-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.50
Rot. Bonds6

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile (PubChem CID 139346162) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile
PubChem CID139346162
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCCC(O)c1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1
InChIInChI=1S/C24H22FN7O2/c1-3-20(33)23-27-9-15(13(2)31-23)17-11-29-24(32-12-30-19(8-26)22(17)32)28-10-16-14-6-7-34-21(14)5-4-18(16)25/h4-5,9,11-12,20,33H,3,6-7,10H2,1-2H3,(H,28,29)
InChIKeyISMVKBKKWVUXRX-UHFFFAOYSA-N
XLogP3.50
TPSA121.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]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-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile (CID 139346162) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]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-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile is CCC(O)c1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c(C)n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The InChIKey is ISMVKBKKWVUXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-3-20(33)23-27-9-15(13(2)31-23)17-11-29-24(32-12-30-19(8-26)22(17)32)28-10-16-14-6-7-34-21(14)5-4-18(16)25/h4-5,9,11-12,20,33H,3,6-7,10H2,1-2H3,(H,28,29).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 3.50, 6 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-[2-(1-hydroxypropyl)-4-methylpyrimidin-5-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 139346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).