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

C22H19FN8O2 — CID 155676987

IUPAC5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
InChIInChI=1S/C22H19FN8O2/c1-25-21(32)17-7-18(30(2)29-17)15-10-27-22(31-11-12(8-24)28-20(15)31)26-9-14-13-5-6-33-19(13)4-3-16(14)23/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,25,32)(H,26,27)
InChIKeyPUUDAUWNSZGWMD-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.05
Rot. Bonds5

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

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 155676987) has the molecular formula C22H19FN8O2 and a molecular weight of 446.45 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,1-dimethylpyrazole-3-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,1-dimethylpyrazole-3-carboxamide
PubChem CID155676987
Molecular FormulaC22H19FN8O2
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Name5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
InChIInChI=1S/C22H19FN8O2/c1-25-21(32)17-7-18(30(2)29-17)15-10-27-22(31-11-12(8-24)28-20(15)31)26-9-14-13-5-6-33-19(13)4-3-16(14)23/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,25,32)(H,26,27)
InChIKeyPUUDAUWNSZGWMD-UHFFFAOYSA-N
XLogP2.05
TPSA122.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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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,1-dimethylpyrazole-3-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,1-dimethylpyrazole-3-carboxamide (CID 155676987) is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,1-dimethylpyrazole-3-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,1-dimethylpyrazole-3-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,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1.
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,1-dimethylpyrazole-3-carboxamide?
The InChIKey is PUUDAUWNSZGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O2/c1-25-21(32)17-7-18(30(2)29-17)15-10-27-22(31-11-12(8-24)28-20(15)31)26-9-14-13-5-6-33-19(13)4-3-16(14)23/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,25,32)(H,26,27).
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,1-dimethylpyrazole-3-carboxamide?
5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 155676987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).