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

C26H23FN6O2 — CID 155788034

IUPAC4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C26H23FN6O2/c1-15-10-16(25(34)32(2)3)4-5-18(15)21-13-30-26(33-14-17(11-28)31-24(21)33)29-12-20-19-8-9-35-23(19)7-6-22(20)27/h4-7,10,13-14H,8-9,12H2,1-3H3,(H,29,30)
InChIKeyCDNBNWUIUFKCCC-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.96
Rot. Bonds5

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

4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzamide (PubChem CID 155788034) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 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]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzamide
PubChem CID155788034
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C26H23FN6O2/c1-15-10-16(25(34)32(2)3)4-5-18(15)21-13-30-26(33-14-17(11-28)31-24(21)33)29-12-20-19-8-9-35-23(19)7-6-22(20)27/h4-7,10,13-14H,8-9,12H2,1-3H3,(H,29,30)
InChIKeyCDNBNWUIUFKCCC-UHFFFAOYSA-N
XLogP3.96
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.96
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]-N,N,3-trimethylbenzamide 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]-N,N,3-trimethylbenzamide?
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]-N,N,3-trimethylbenzamide (CID 155788034) is 4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzamide.
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]-N,N,3-trimethylbenzamide?
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]-N,N,3-trimethylbenzamide is Cc1cc(C(=O)N(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.
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]-N,N,3-trimethylbenzamide?
The InChIKey is CDNBNWUIUFKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-15-10-16(25(34)32(2)3)4-5-18(15)21-13-30-26(33-14-17(11-28)31-24(21)33)29-12-20-19-8-9-35-23(19)7-6-22(20)27/h4-7,10,13-14H,8-9,12H2,1-3H3,(H,29,30).
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]-N,N,3-trimethylbenzamide?
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N,N,3-trimethylbenzamide has a molecular weight of 470.51 g/mol, XLogP of 3.96, 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]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 155788034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).