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

C24H25FN8O — CID 155788008

IUPAC8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C24H25FN8O/c1-31(2)7-3-8-32-14-16(11-29-32)19-12-27-24(33-15-17(10-26)30-23(19)33)28-13-20-18-6-9-34-22(18)5-4-21(20)25/h4-5,11-12,14-15H,3,6-9,13H2,1-2H3,(H,27,28)
InChIKeyHHMZECFYXRJRFF-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.10
Rot. Bonds8

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

8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788008) has the molecular formula C24H25FN8O and a molecular weight of 460.52 g/mol. Its IUPAC name is 8-[1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788008
Molecular FormulaC24H25FN8O
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC Name8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C24H25FN8O/c1-31(2)7-3-8-32-14-16(11-29-32)19-12-27-24(33-15-17(10-26)30-23(19)33)28-13-20-18-6-9-34-22(18)5-4-21(20)25/h4-5,11-12,14-15H,3,6-9,13H2,1-2H3,(H,27,28)
InChIKeyHHMZECFYXRJRFF-UHFFFAOYSA-N
XLogP3.10
TPSA96.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-[1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788008) is 8-[1-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of 8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is HHMZECFYXRJRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O/c1-31(2)7-3-8-32-14-16(11-29-32)19-12-27-24(33-15-17(10-26)30-23(19)33)28-13-20-18-6-9-34-22(18)5-4-21(20)25/h4-5,11-12,14-15H,3,6-9,13H2,1-2H3,(H,27,28).
What are the key properties of 8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[1-[3-(dimethylamino)propyl]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 460.52 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[3-(dimethylamino)propyl]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 155788008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).