5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

C26H28FN7O2 — CID 155383017

IUPAC5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(C)N)nc12
InChIInChI=1S/C26H28FN7O2/c1-14-9-21(25(35)33(3)4)29-10-17(14)19-12-31-26(34-13-22(15(2)28)32-24(19)34)30-11-18-16-7-8-36-23(16)6-5-20(18)27/h5-6,9-10,12-13,15H,7-8,11,28H2,1-4H3,(H,30,31)
InChIKeyRCFQCFYOMONSLA-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.51
Rot. Bonds6

About 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (PubChem CID 155383017) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
PubChem CID155383017
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(C)N)nc12
InChIInChI=1S/C26H28FN7O2/c1-14-9-21(25(35)33(3)4)29-10-17(14)19-12-31-26(34-13-22(15(2)28)32-24(19)34)30-11-18-16-7-8-36-23(16)6-5-20(18)27/h5-6,9-10,12-13,15H,7-8,11,28H2,1-4H3,(H,30,31)
InChIKeyRCFQCFYOMONSLA-UHFFFAOYSA-N
XLogP3.51
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (CID 155383017) is 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(C)N)nc12.
What is the InChIKey of 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The InChIKey is RCFQCFYOMONSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-14-9-21(25(35)33(3)4)29-10-17(14)19-12-31-26(34-13-22(15(2)28)32-24(19)34)30-11-18-16-7-8-36-23(16)6-5-20(18)27/h5-6,9-10,12-13,15H,7-8,11,28H2,1-4H3,(H,30,31).
What are the key properties of 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 155383017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).