methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate

C23H17FN6O3 — CID 155788127

IUPACmethyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H17FN6O3/c1-32-22(31)19-4-2-13(9-26-19)16-10-27-23(30-12-14(8-25)29-21(16)30)28-11-17-15-6-7-33-20(15)5-3-18(17)24/h2-5,9-10,12H,6-7,11H2,1H3,(H,27,28)
InChIKeyPDLWLOSONZIQQV-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.14
Rot. Bonds5

About methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate

methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate (PubChem CID 155788127) has the molecular formula C23H17FN6O3 and a molecular weight of 444.43 g/mol. Its IUPAC name is methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate
PubChem CID155788127
Molecular FormulaC23H17FN6O3
Molecular Weight444.43 g/mol
Exact Mass444.13
IUPAC Namemethyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C23H17FN6O3/c1-32-22(31)19-4-2-13(9-26-19)16-10-27-23(30-12-14(8-25)29-21(16)30)28-11-17-15-6-7-33-20(15)5-3-18(17)24/h2-5,9-10,12H,6-7,11H2,1H3,(H,27,28)
InChIKeyPDLWLOSONZIQQV-UHFFFAOYSA-N
XLogP3.14
TPSA114.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate 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 methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate (CID 155788127) is methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?
The InChIKey is PDLWLOSONZIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O3/c1-32-22(31)19-4-2-13(9-26-19)16-10-27-23(30-12-14(8-25)29-21(16)30)28-11-17-15-6-7-33-20(15)5-3-18(17)24/h2-5,9-10,12H,6-7,11H2,1H3,(H,27,28).
What are the key properties of methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate?
methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate has a molecular weight of 444.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylate is sourced from PubChem (CID 155788127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).