2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

C23H26FN7O — CID 155369187

IUPAC2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(C)C)nc23)n(C)n1
InChIInChI=1S/C23H26FN7O/c1-14-9-20(30(4)28-14)18-11-26-23(31-13-15(12-29(2)3)27-22(18)31)25-10-17-16-7-8-32-21(16)6-5-19(17)24/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,25,26)
InChIKeyRRIIZQBJUAHTOG-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.19
Rot. Bonds6

About 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155369187) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369187
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(C)C)nc23)n(C)n1
InChIInChI=1S/C23H26FN7O/c1-14-9-20(30(4)28-14)18-11-26-23(31-13-15(12-29(2)3)27-22(18)31)25-10-17-16-7-8-32-21(16)6-5-19(17)24/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,25,26)
InChIKeyRRIIZQBJUAHTOG-UHFFFAOYSA-N
XLogP3.19
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (CID 155369187) is 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(C)C)nc23)n(C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is RRIIZQBJUAHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-14-9-20(30(4)28-14)18-11-26-23(31-13-15(12-29(2)3)27-22(18)31)25-10-17-16-7-8-32-21(16)6-5-19(17)24/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,25,26).
What are the key properties of 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?
2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 435.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155369187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).