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

C21H14F2N6O — CID 155788025

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncc(F)c3)c2n1
InChIInChI=1S/C21H14F2N6O/c22-13-5-12(7-25-8-13)16-9-26-21(29-11-14(6-24)28-20(16)29)27-10-17-15-3-4-30-19(15)2-1-18(17)23/h1-2,5,7-9,11H,3-4,10H2,(H,26,27)
InChIKeyMGFCUBHOHMZGJB-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.49
Rot. Bonds4

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788025) has the molecular formula C21H14F2N6O and a molecular weight of 404.38 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788025
Molecular FormulaC21H14F2N6O
Molecular Weight404.38 g/mol
Exact Mass404.12
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESN#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncc(F)c3)c2n1
InChIInChI=1S/C21H14F2N6O/c22-13-5-12(7-25-8-13)16-9-26-21(29-11-14(6-24)28-20(16)29)27-10-17-15-3-4-30-19(15)2-1-18(17)23/h1-2,5,7-9,11H,3-4,10H2,(H,26,27)
InChIKeyMGFCUBHOHMZGJB-UHFFFAOYSA-N
XLogP3.49
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788025) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)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-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncc(F)c3)c2n1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is MGFCUBHOHMZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O/c22-13-5-12(7-25-8-13)16-9-26-21(29-11-14(6-24)28-20(16)29)27-10-17-15-3-4-30-19(15)2-1-18(17)23/h1-2,5,7-9,11H,3-4,10H2,(H,26,27).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 404.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-fluoro-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).