5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C26H23FN6O2 — CID 155788145

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(O)C4)cc3)c2n1
InChIInChI=1S/C26H23FN6O2/c27-23-5-6-24-20(7-8-35-24)22(23)11-30-26-29-10-21(25-31-18(9-28)13-33(25)26)17-3-1-16(2-4-17)12-32-14-19(34)15-32/h1-6,10,13,19,34H,7-8,11-12,14-15H2,(H,29,30)
InChIKeySNWGDJSKRNYDNU-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.13
Rot. Bonds6

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788145) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788145
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(O)C4)cc3)c2n1
InChIInChI=1S/C26H23FN6O2/c27-23-5-6-24-20(7-8-35-24)22(23)11-30-26-29-10-21(25-31-18(9-28)13-33(25)26)17-3-1-16(2-4-17)12-32-14-19(34)15-32/h1-6,10,13,19,34H,7-8,11-12,14-15H2,(H,29,30)
InChIKeySNWGDJSKRNYDNU-UHFFFAOYSA-N
XLogP3.13
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788145) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(O)C4)cc3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is SNWGDJSKRNYDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-23-5-6-24-20(7-8-35-24)22(23)11-30-26-29-10-21(25-31-18(9-28)13-33(25)26)17-3-1-16(2-4-17)12-32-14-19(34)15-32/h1-6,10,13,19,34H,7-8,11-12,14-15H2,(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 470.51 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).