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

C22H21F4N7O — CID 155369144

IUPAC2-(1-amino-2,2,2-trifluoroethyl)-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(N)C(F)(F)F)nc23)n(C)n1
InChIInChI=1S/C22H21F4N7O/c1-11-7-17(32(2)31-11)14-9-29-21(33-10-16(30-20(14)33)19(27)22(24,25)26)28-8-13-12-5-6-34-18(12)4-3-15(13)23/h3-4,7,9-10,19H,5-6,8,27H2,1-2H3,(H,28,29)
InChIKeySHHKMZXKPTUBAY-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.69
Rot. Bonds5

About 2-(1-amino-2,2,2-trifluoroethyl)-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-amino-2,2,2-trifluoroethyl)-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 155369144) has the molecular formula C22H21F4N7O and a molecular weight of 475.45 g/mol. Its IUPAC name is 2-(1-amino-2,2,2-trifluoroethyl)-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-amino-2,2,2-trifluoroethyl)-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 CID155369144
Molecular FormulaC22H21F4N7O
Molecular Weight475.45 g/mol
Exact Mass475.17
IUPAC Name2-(1-amino-2,2,2-trifluoroethyl)-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(N)C(F)(F)F)nc23)n(C)n1
InChIInChI=1S/C22H21F4N7O/c1-11-7-17(32(2)31-11)14-9-29-21(33-10-16(30-20(14)33)19(27)22(24,25)26)28-8-13-12-5-6-34-18(12)4-3-15(13)23/h3-4,7,9-10,19H,5-6,8,27H2,1-2H3,(H,28,29)
InChIKeySHHKMZXKPTUBAY-UHFFFAOYSA-N
XLogP3.69
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1-amino-2,2,2-trifluoroethyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2,2-trifluoroethyl)-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-amino-2,2,2-trifluoroethyl)-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 155369144) is 2-(1-amino-2,2,2-trifluoroethyl)-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-amino-2,2,2-trifluoroethyl)-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-amino-2,2,2-trifluoroethyl)-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(N)C(F)(F)F)nc23)n(C)n1.
What is the InChIKey of 2-(1-amino-2,2,2-trifluoroethyl)-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 SHHKMZXKPTUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N7O/c1-11-7-17(32(2)31-11)14-9-29-21(33-10-16(30-20(14)33)19(27)22(24,25)26)28-8-13-12-5-6-34-18(12)4-3-15(13)23/h3-4,7,9-10,19H,5-6,8,27H2,1-2H3,(H,28,29).
What are the key properties of 2-(1-amino-2,2,2-trifluoroethyl)-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-amino-2,2,2-trifluoroethyl)-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 475.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2,2-trifluoroethyl)-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 155369144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).