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

C22H15FN6O — CID 155676961

IUPAC5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C#N)nc12
InChIInChI=1S/C22H15FN6O/c1-13-15(3-2-7-25-13)18-11-27-22(29-12-14(9-24)28-21(18)29)26-10-17-16-6-8-30-20(16)5-4-19(17)23/h2-8,11-12H,10H2,1H3,(H,26,27)
InChIKeyQRQXMDNBSDFOPU-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.47
Rot. Bonds4

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

5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676961) has the molecular formula C22H15FN6O and a molecular weight of 398.40 g/mol. Its IUPAC name is 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676961
Molecular FormulaC22H15FN6O
Molecular Weight398.40 g/mol
Exact Mass398.13
IUPAC Name5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C#N)nc12
InChIInChI=1S/C22H15FN6O/c1-13-15(3-2-7-25-13)18-11-27-22(29-12-14(9-24)28-21(18)29)26-10-17-16-6-8-30-20(16)5-4-19(17)23/h2-8,11-12H,10H2,1H3,(H,26,27)
InChIKeyQRQXMDNBSDFOPU-UHFFFAOYSA-N
XLogP4.47
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676961) is 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C#N)nc12.
What is the InChIKey of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is QRQXMDNBSDFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O/c1-13-15(3-2-7-25-13)18-11-27-22(29-12-14(9-24)28-21(18)29)26-10-17-16-6-8-30-20(16)5-4-19(17)23/h2-8,11-12H,10H2,1H3,(H,26,27).
What are the key properties of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 398.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).