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

C23H23FN8O — CID 155788136

IUPAC8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H23FN8O/c1-30(2)6-7-31-13-15(10-28-31)18-11-26-23(32-14-16(9-25)29-22(18)32)27-12-19-17-5-8-33-21(17)4-3-20(19)24/h3-4,10-11,13-14H,5-8,12H2,1-2H3,(H,26,27)
InChIKeyZZGXEORREMDNQW-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.71
Rot. Bonds7

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

8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788136) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788136
Molecular FormulaC23H23FN8O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H23FN8O/c1-30(2)6-7-31-13-15(10-28-31)18-11-26-23(32-14-16(9-25)29-22(18)32)27-12-19-17-5-8-33-21(17)4-3-20(19)24/h3-4,10-11,13-14H,5-8,12H2,1-2H3,(H,26,27)
InChIKeyZZGXEORREMDNQW-UHFFFAOYSA-N
XLogP2.71
TPSA96.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788136) is 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)CCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is ZZGXEORREMDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-30(2)6-7-31-13-15(10-28-31)18-11-26-23(32-14-16(9-25)29-22(18)32)27-12-19-17-5-8-33-21(17)4-3-20(19)24/h3-4,10-11,13-14H,5-8,12H2,1-2H3,(H,26,27).
What are the key properties of 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 446.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).