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

C21H18FN7O2 — CID 139371093

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCO)c2n1
InChIInChI=1S/C21H18FN7O2/c22-17-1-2-19-14(4-8-31-19)15(17)10-24-21-25-11-16(18-3-5-26-29(18)6-7-30)20-27-13(9-23)12-28(20)21/h1-3,5,11-12,30H,4,6-8,10H2,(H,24,25)
InChIKeyFEBQMVADONDCSH-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.14
Rot. Bonds6

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 139371093) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID139371093
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCO)c2n1
InChIInChI=1S/C21H18FN7O2/c22-17-1-2-19-14(4-8-31-19)15(17)10-24-21-25-11-16(18-3-5-26-29(18)6-7-30)20-27-13(9-23)12-28(20)21/h1-3,5,11-12,30H,4,6-8,10H2,(H,24,25)
InChIKeyFEBQMVADONDCSH-UHFFFAOYSA-N
XLogP2.14
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile with MolForge

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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-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 139371093) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]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-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccnn3CCO)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is FEBQMVADONDCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c22-17-1-2-19-14(4-8-31-19)15(17)10-24-21-25-11-16(18-3-5-26-29(18)6-7-30)20-27-13(9-23)12-28(20)21/h1-3,5,11-12,30H,4,6-8,10H2,(H,24,25).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 419.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-(2-hydroxyethyl)pyrazol-3-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 139371093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).