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

C23H23FN8O — CID 139371722

IUPAC8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C23H23FN8O/c1-30(2)8-9-32-20(5-7-28-32)18-13-27-23(31-14-15(11-25)29-22(18)31)26-12-17-16-6-10-33-21(16)4-3-19(17)24/h3-5,7,13-14H,6,8-10,12H2,1-2H3,(H,26,27)
InChIKeyPYPNAVIDPGTVCP-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.71
Rot. Bonds7

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

8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139371722) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139371722
Molecular FormulaC23H23FN8O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C23H23FN8O/c1-30(2)8-9-32-20(5-7-28-32)18-13-27-23(31-14-15(11-25)29-22(18)31)26-12-17-16-6-10-33-21(16)4-3-19(17)24/h3-5,7,13-14H,6,8-10,12H2,1-2H3,(H,26,27)
InChIKeyPYPNAVIDPGTVCP-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-[2-[2-(dimethylamino)ethyl]pyrazol-3-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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Related Compounds

Mak-683
CID 121412508
Unii-XX8E5WP7FS
CID 118009787
8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
Mbm-55
CID 137636872
5-Fluoro-4-[[[8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 156022749
5-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-N-methyl-8-N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
CID 162368300
US11091495, Example 228
CID 152324986
N-[(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 162658383
1-(2,3-dihydro-benzofuran-5-ylmethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 59341790
US9580437, Example 44
CID 121412518
US9580437, Example 16
CID 121432827
US9580437, Example 17
CID 121432828

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139371722) is 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-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-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.
What is the InChIKey of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is PYPNAVIDPGTVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-30(2)8-9-32-20(5-7-28-32)18-13-27-23(31-14-15(11-25)29-22(18)31)26-12-17-16-6-10-33-21(16)4-3-19(17)24/h3-5,7,13-14H,6,8-10,12H2,1-2H3,(H,26,27).
What are the key properties of 8-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[2-[2-(dimethylamino)ethyl]pyrazol-3-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-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139371722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).