5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C28H26FN7O2 — CID 155788132

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)CC1
InChIInChI=1S/C28H26FN7O2/c1-34-9-11-35(12-10-34)27(37)19-4-2-18(3-5-19)22-15-31-28(36-17-20(14-30)33-26(22)36)32-16-23-21-8-13-38-25(21)7-6-24(23)29/h2-7,15,17H,8-13,16H2,1H3,(H,31,32)
InChIKeyAFIVAVZMDHGHDE-UHFFFAOYSA-N
MW511.56 g/mol
LogP3.34
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788132) has the molecular formula C28H26FN7O2 and a molecular weight of 511.56 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788132
Molecular FormulaC28H26FN7O2
Molecular Weight511.56 g/mol
Exact Mass511.21
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)CC1
InChIInChI=1S/C28H26FN7O2/c1-34-9-11-35(12-10-34)27(37)19-4-2-18(3-5-19)22-15-31-28(36-17-20(14-30)33-26(22)36)32-16-23-21-8-13-38-25(21)7-6-24(23)29/h2-7,15,17H,8-13,16H2,1H3,(H,31,32)
InChIKeyAFIVAVZMDHGHDE-UHFFFAOYSA-N
XLogP3.34
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile 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 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788132) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN1CCN(C(=O)c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)cc2)CC1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is AFIVAVZMDHGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O2/c1-34-9-11-35(12-10-34)27(37)19-4-2-18(3-5-19)22-15-31-28(36-17-20(14-30)33-26(22)36)32-16-23-21-8-13-38-25(21)7-6-24(23)29/h2-7,15,17H,8-13,16H2,1H3,(H,31,32).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 511.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).