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

C22H24FN7O — CID 155369177

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCNCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C22H24FN7O/c1-13-8-19(29(3)28-13)17-11-26-22(30-12-14(9-24-2)27-21(17)30)25-10-16-15-6-7-31-20(15)5-4-18(16)23/h4-5,8,11-12,24H,6-7,9-10H2,1-3H3,(H,25,26)
InChIKeyTVRKPPMJTOJUHI-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.84
Rot. Bonds6

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

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155369177) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369177
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCNCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C22H24FN7O/c1-13-8-19(29(3)28-13)17-11-26-22(30-12-14(9-24-2)27-21(17)30)25-10-16-15-6-7-31-20(15)5-4-18(16)23/h4-5,8,11-12,24H,6-7,9-10H2,1-3H3,(H,25,26)
InChIKeyTVRKPPMJTOJUHI-UHFFFAOYSA-N
XLogP2.84
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine (CID 155369177) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine is CNCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is TVRKPPMJTOJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-13-8-19(29(3)28-13)17-11-26-22(30-12-14(9-24-2)27-21(17)30)25-10-16-15-6-7-31-20(15)5-4-18(16)23/h4-5,8,11-12,24H,6-7,9-10H2,1-3H3,(H,25,26).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 421.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methylaminomethyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155369177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).