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

C22H24FN7O — CID 155369214

IUPAC2-(1-aminoethyl)-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(C(C)N)nc23)n(C)n1
InChIInChI=1S/C22H24FN7O/c1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23/h4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26)
InChIKeyCJLVIMOZCUQEAJ-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.14
Rot. Bonds5

About 2-(1-aminoethyl)-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-(1-aminoethyl)-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 155369214) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-(1-aminoethyl)-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-(1-aminoethyl)-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 CID155369214
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name2-(1-aminoethyl)-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(C(C)N)nc23)n(C)n1
InChIInChI=1S/C22H24FN7O/c1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23/h4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26)
InChIKeyCJLVIMOZCUQEAJ-UHFFFAOYSA-N
XLogP3.14
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-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-(1-aminoethyl)-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 155369214) is 2-(1-aminoethyl)-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-(1-aminoethyl)-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-(1-aminoethyl)-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(C(C)N)nc23)n(C)n1.
What is the InChIKey of 2-(1-aminoethyl)-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 CJLVIMOZCUQEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23/h4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26).
What are the key properties of 2-(1-aminoethyl)-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-(1-aminoethyl)-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 421.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-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 155369214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).