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

C22H20FN7O2 — CID 155788150

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCC(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C22H20FN7O2/c1-13(31)10-29-11-14(7-27-29)17-8-25-22(30-12-15(6-24)28-21(17)30)26-9-18-16-4-5-32-20(16)3-2-19(18)23/h2-3,7-8,11-13,31H,4-5,9-10H2,1H3,(H,25,26)
InChIKeyZTFMSQSTAHJAPT-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.53
Rot. Bonds6

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788150) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788150
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCC(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C22H20FN7O2/c1-13(31)10-29-11-14(7-27-29)17-8-25-22(30-12-15(6-24)28-21(17)30)26-9-18-16-4-5-32-20(16)3-2-19(18)23/h2-3,7-8,11-13,31H,4-5,9-10H2,1H3,(H,25,26)
InChIKeyZTFMSQSTAHJAPT-UHFFFAOYSA-N
XLogP2.53
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-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-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788150) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is CC(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is ZTFMSQSTAHJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-13(31)10-29-11-14(7-27-29)17-8-25-22(30-12-15(6-24)28-21(17)30)26-9-18-16-4-5-32-20(16)3-2-19(18)23/h2-3,7-8,11-13,31H,4-5,9-10H2,1H3,(H,25,26).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 433.45 g/mol, XLogP of 2.53, 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-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).