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

C23H21FN8O2 — CID 155676970

IUPAC5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,1-trimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
InChIInChI=1S/C23H21FN8O2/c1-30(2)22(33)18-8-19(31(3)29-18)16-11-27-23(32-12-13(9-25)28-21(16)32)26-10-15-14-6-7-34-20(14)5-4-17(15)24/h4-5,8,11-12H,6-7,10H2,1-3H3,(H,26,27)
InChIKeyPWPLILAVZPAYIU-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.39
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,1-trimethylpyrazole-3-carboxamide

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,1-trimethylpyrazole-3-carboxamide (PubChem CID 155676970) has the molecular formula C23H21FN8O2 and a molecular weight of 460.47 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,1-trimethylpyrazole-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,N,1-trimethylpyrazole-3-carboxamide
PubChem CID155676970
Molecular FormulaC23H21FN8O2
Molecular Weight460.47 g/mol
Exact Mass460.18
IUPAC Name5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,1-trimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1
InChIInChI=1S/C23H21FN8O2/c1-30(2)22(33)18-8-19(31(3)29-18)16-11-27-23(32-12-13(9-25)28-21(16)32)26-10-15-14-6-7-34-20(14)5-4-17(15)24/h4-5,8,11-12H,6-7,10H2,1-3H3,(H,26,27)
InChIKeyPWPLILAVZPAYIU-UHFFFAOYSA-N
XLogP2.39
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
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,N,1-trimethylpyrazole-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,N,1-trimethylpyrazole-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,N,1-trimethylpyrazole-3-carboxamide (CID 155676970) is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,1-trimethylpyrazole-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,N,1-trimethylpyrazole-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,N,1-trimethylpyrazole-3-carboxamide is CN(C)C(=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,N,1-trimethylpyrazole-3-carboxamide?
The InChIKey is PWPLILAVZPAYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O2/c1-30(2)22(33)18-8-19(31(3)29-18)16-11-27-23(32-12-13(9-25)28-21(16)32)26-10-15-14-6-7-34-20(14)5-4-17(15)24/h4-5,8,11-12H,6-7,10H2,1-3H3,(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,N,1-trimethylpyrazole-3-carboxamide?
5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,1-trimethylpyrazole-3-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 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,N,1-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 155676970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).