2-[(benzylamino)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

C28H28FN7O — CID 155383025

IUPAC2-[(benzylamino)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(CNCc4ccccc4)nc23)n(C)n1
InChIInChI=1S/C28H28FN7O/c1-18-12-25(35(2)34-18)23-16-32-28(31-15-22-21-10-11-37-26(21)9-8-24(22)29)36-17-20(33-27(23)36)14-30-13-19-6-4-3-5-7-19/h3-9,12,16-17,30H,10-11,13-15H2,1-2H3,(H,31,32)
InChIKeyWUYPNCHTJRNDKQ-UHFFFAOYSA-N
MW497.58 g/mol
LogP4.41
Rot. Bonds8

About 2-[(benzylamino)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-[(benzylamino)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 155383025) has the molecular formula C28H28FN7O and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[(benzylamino)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-[(benzylamino)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 CID155383025
Molecular FormulaC28H28FN7O
Molecular Weight497.58 g/mol
Exact Mass497.23
IUPAC Name2-[(benzylamino)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(CNCc4ccccc4)nc23)n(C)n1
InChIInChI=1S/C28H28FN7O/c1-18-12-25(35(2)34-18)23-16-32-28(31-15-22-21-10-11-37-26(21)9-8-24(22)29)36-17-20(33-27(23)36)14-30-13-19-6-4-3-5-7-19/h3-9,12,16-17,30H,10-11,13-15H2,1-2H3,(H,31,32)
InChIKeyWUYPNCHTJRNDKQ-UHFFFAOYSA-N
XLogP4.41
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(benzylamino)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-[(benzylamino)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-[(benzylamino)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 155383025) is 2-[(benzylamino)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-[(benzylamino)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-[(benzylamino)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(CNCc4ccccc4)nc23)n(C)n1.
What is the InChIKey of 2-[(benzylamino)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 WUYPNCHTJRNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O/c1-18-12-25(35(2)34-18)23-16-32-28(31-15-22-21-10-11-37-26(21)9-8-24(22)29)36-17-20(33-27(23)36)14-30-13-19-6-4-3-5-7-19/h3-9,12,16-17,30H,10-11,13-15H2,1-2H3,(H,31,32).
What are the key properties of 2-[(benzylamino)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-[(benzylamino)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 497.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)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 155383025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).