4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide

C25H19F3N6O2 — CID 155788018

IUPAC4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
InChIInChI=1S/C25H19F3N6O2/c1-33(2)24(35)22-19(27)7-13(8-20(22)28)16-10-30-25(34-12-14(9-29)32-23(16)34)31-11-17-15-5-6-36-21(15)4-3-18(17)26/h3-4,7-8,10,12H,5-6,11H2,1-2H3,(H,30,31)
InChIKeySBOLYPVWXJADNQ-UHFFFAOYSA-N
MW492.46 g/mol
LogP3.93
Rot. Bonds5

About 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide (PubChem CID 155788018) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide
PubChem CID155788018
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F
InChIInChI=1S/C25H19F3N6O2/c1-33(2)24(35)22-19(27)7-13(8-20(22)28)16-10-30-25(34-12-14(9-29)32-23(16)34)31-11-17-15-5-6-36-21(15)4-3-18(17)26/h3-4,7-8,10,12H,5-6,11H2,1-2H3,(H,30,31)
InChIKeySBOLYPVWXJADNQ-UHFFFAOYSA-N
XLogP3.93
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide (CID 155788018) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1c(F)cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cc1F.
What is the InChIKey of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide?
The InChIKey is SBOLYPVWXJADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-33(2)24(35)22-19(27)7-13(8-20(22)28)16-10-30-25(34-12-14(9-29)32-23(16)34)31-11-17-15-5-6-36-21(15)4-3-18(17)26/h3-4,7-8,10,12H,5-6,11H2,1-2H3,(H,30,31).
What are the key properties of 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide?
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide has a molecular weight of 492.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-2,6-difluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 155788018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).