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

C22H17FN6O2 — CID 155676965

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCn1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1=O
InChIInChI=1S/C22H17FN6O2/c1-28-7-2-3-15(21(28)30)17-11-26-22(29-12-13(9-24)27-20(17)29)25-10-16-14-6-8-31-19(14)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,25,26)
InChIKeyAMHPTWFBCSOPAZ-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.65
Rot. Bonds4

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676965) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676965
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCn1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1=O
InChIInChI=1S/C22H17FN6O2/c1-28-7-2-3-15(21(28)30)17-11-26-22(29-12-13(9-24)27-20(17)29)25-10-16-14-6-8-31-19(14)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,25,26)
InChIKeyAMHPTWFBCSOPAZ-UHFFFAOYSA-N
XLogP2.65
TPSA97.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
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-(1-methyl-2-oxo-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-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676965) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-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-(1-methyl-2-oxo-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-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cn1cccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c1=O.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is AMHPTWFBCSOPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2/c1-28-7-2-3-15(21(28)30)17-11-26-22(29-12-13(9-24)27-20(17)29)25-10-16-14-6-8-31-19(14)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,25,26).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 416.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 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-(1-methyl-2-oxo-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).