5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

C25H22FN7O2 — CID 155788063

IUPAC5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C25H22FN7O2/c1-14-8-21(24(34)32(2)3)28-10-17(14)19-12-30-25(33-13-15(9-27)31-23(19)33)29-11-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,8,10,12-13H,6-7,11H2,1-3H3,(H,29,30)
InChIKeyLXXIUEJPNHZLJV-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.36
Rot. Bonds5

About 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (PubChem CID 155788063) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
PubChem CID155788063
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C25H22FN7O2/c1-14-8-21(24(34)32(2)3)28-10-17(14)19-12-30-25(33-13-15(9-27)31-23(19)33)29-11-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,8,10,12-13H,6-7,11H2,1-3H3,(H,29,30)
InChIKeyLXXIUEJPNHZLJV-UHFFFAOYSA-N
XLogP3.36
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide 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-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (CID 155788063) is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.
What is the InChIKey of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The InChIKey is LXXIUEJPNHZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-14-8-21(24(34)32(2)3)28-10-17(14)19-12-30-25(33-13-15(9-27)31-23(19)33)29-11-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,8,10,12-13H,6-7,11H2,1-3H3,(H,29,30).
What are the key properties of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 155788063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).