5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile

C25H21FN8O2 — CID 167438729

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCC(C)(O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c2ncnn12
InChIInChI=1S/C25H21FN8O2/c1-25(2,35)21-6-3-15(23-30-12-32-34(21)23)17-11-29-24(33-13-31-19(9-27)22(17)33)28-10-16-14-7-8-36-20(14)5-4-18(16)26/h3-6,11-13,35H,7-8,10H2,1-2H3,(H,28,29)
InChIKeyMHEZNFGUTBYHRZ-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.22
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile (PubChem CID 167438729) has the molecular formula C25H21FN8O2 and a molecular weight of 484.50 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile
PubChem CID167438729
Molecular FormulaC25H21FN8O2
Molecular Weight484.50 g/mol
Exact Mass484.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESCC(C)(O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c2ncnn12
InChIInChI=1S/C25H21FN8O2/c1-25(2,35)21-6-3-15(23-30-12-32-34(21)23)17-11-29-24(33-13-31-19(9-27)22(17)33)28-10-16-14-7-8-36-20(14)5-4-18(16)26/h3-6,11-13,35H,7-8,10H2,1-2H3,(H,28,29)
InChIKeyMHEZNFGUTBYHRZ-UHFFFAOYSA-N
XLogP3.22
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-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-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile (CID 167438729) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-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-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile is CC(C)(O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(C#N)c23)c2ncnn12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
The InChIKey is MHEZNFGUTBYHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2/c1-25(2,35)21-6-3-15(23-30-12-32-34(21)23)17-11-29-24(33-13-31-19(9-27)22(17)33)28-10-16-14-7-8-36-20(14)5-4-18(16)26/h3-6,11-13,35H,7-8,10H2,1-2H3,(H,28,29).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile has a molecular weight of 484.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[5-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]imidazo[1,5-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 167438729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).