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

C22H15FN6O3 — CID 155676938

IUPAC5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)nc3)c2n1
InChIInChI=1S/C22H15FN6O3/c23-17-2-4-19-14(5-6-32-19)16(17)10-27-22-26-9-15(20-28-13(7-24)11-29(20)22)12-1-3-18(21(30)31)25-8-12/h1-4,8-9,11H,5-6,10H2,(H,26,27)(H,30,31)
InChIKeyVMPDLFKFCKRYRQ-UHFFFAOYSA-N
MW430.40 g/mol
LogP3.05
Rot. Bonds5

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

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid (PubChem CID 155676938) has the molecular formula C22H15FN6O3 and a molecular weight of 430.40 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]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid
PubChem CID155676938
Molecular FormulaC22H15FN6O3
Molecular Weight430.40 g/mol
Exact Mass430.12
IUPAC Name5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)nc3)c2n1
InChIInChI=1S/C22H15FN6O3/c23-17-2-4-19-14(5-6-32-19)16(17)10-27-22-26-9-15(20-28-13(7-24)11-29(20)22)12-1-3-18(21(30)31)25-8-12/h1-4,8-9,11H,5-6,10H2,(H,26,27)(H,30,31)
InChIKeyVMPDLFKFCKRYRQ-UHFFFAOYSA-N
XLogP3.05
TPSA125.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
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]pyridine-2-carboxylic acid 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]pyridine-2-carboxylic acid?
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]pyridine-2-carboxylic acid (CID 155676938) is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid.
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]pyridine-2-carboxylic acid?
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]pyridine-2-carboxylic acid is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)nc3)c2n1.
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]pyridine-2-carboxylic acid?
The InChIKey is VMPDLFKFCKRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O3/c23-17-2-4-19-14(5-6-32-19)16(17)10-27-22-26-9-15(20-28-13(7-24)11-29(20)22)12-1-3-18(21(30)31)25-8-12/h1-4,8-9,11H,5-6,10H2,(H,26,27)(H,30,31).
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]pyridine-2-carboxylic acid?
5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid has a molecular weight of 430.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 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]pyridine-2-carboxylic acid is sourced from PubChem (CID 155676938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).