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

C20H20FN7O — CID 155382875

IUPAC2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
InChIInChI=1S/C20H20FN7O/c1-27-17(4-6-25-27)15-10-24-20(28-11-12(8-22)26-19(15)28)23-9-14-13-5-7-29-18(13)3-2-16(14)21/h2-4,6,10-11H,5,7-9,22H2,1H3,(H,23,24)
InChIKeyJZIPTJQXDMWPOD-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.27
Rot. Bonds5

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

2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155382875) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155382875
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
InChIInChI=1S/C20H20FN7O/c1-27-17(4-6-25-27)15-10-24-20(28-11-12(8-22)26-19(15)28)23-9-14-13-5-7-29-18(13)3-2-16(14)21/h2-4,6,10-11H,5,7-9,22H2,1H3,(H,23,24)
InChIKeyJZIPTJQXDMWPOD-UHFFFAOYSA-N
XLogP2.27
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)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-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 155382875) is 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine is Cn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12.
What is the InChIKey of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is JZIPTJQXDMWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-27-17(4-6-25-27)15-10-24-20(28-11-12(8-22)26-19(15)28)23-9-14-13-5-7-29-18(13)3-2-16(14)21/h2-4,6,10-11H,5,7-9,22H2,1H3,(H,23,24).
What are the key properties of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 393.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155382875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).