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

C23H22FN7O2 — CID 155788077

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCC(C)(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H22FN7O2/c1-23(2,32)13-30-11-14(8-28-30)17-9-26-22(31-12-15(7-25)29-21(17)31)27-10-18-16-5-6-33-20(16)4-3-19(18)24/h3-4,8-9,11-12,32H,5-6,10,13H2,1-2H3,(H,26,27)
InChIKeyYXCILEJYVNSKQL-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.92
Rot. Bonds6

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788077) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)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-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788077
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCC(C)(O)Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H22FN7O2/c1-23(2,32)13-30-11-14(8-28-30)17-9-26-22(31-12-15(7-25)29-21(17)31)27-10-18-16-5-6-33-20(16)4-3-19(18)24/h3-4,8-9,11-12,32H,5-6,10,13H2,1-2H3,(H,26,27)
InChIKeyYXCILEJYVNSKQL-UHFFFAOYSA-N
XLogP2.92
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-hydroxy-2-methylpropyl)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-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788077) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)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-hydroxy-2-methylpropyl)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-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is CC(C)(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-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is YXCILEJYVNSKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-23(2,32)13-30-11-14(8-28-30)17-9-26-22(31-12-15(7-25)29-21(17)31)27-10-18-16-5-6-33-20(16)4-3-19(18)24/h3-4,8-9,11-12,32H,5-6,10,13H2,1-2H3,(H,26,27).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 447.47 g/mol, XLogP of 2.92, 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-hydroxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).