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5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

C22H17FN6O2 — CID 155788019

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C22H17FN6O2/c1-30-20-5-2-13(9-25-20)16-10-26-22(29-12-14(8-24)28-21(16)29)27-11-17-15-6-7-31-19(15)4-3-18(17)23/h2-5,9-10,12H,6-7,11H2,1H3,(H,26,27)
InChIKeyKLSNAVOANZFTRJ-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.36
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788019) 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-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788019
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCOc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C22H17FN6O2/c1-30-20-5-2-13(9-25-20)16-10-26-22(29-12-14(8-24)28-21(16)29)27-11-17-15-6-7-31-19(15)4-3-18(17)23/h2-5,9-10,12H,6-7,11H2,1H3,(H,26,27)
InChIKeyKLSNAVOANZFTRJ-UHFFFAOYSA-N
XLogP3.36
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.36
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-(6-methoxy-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-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788019) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-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-(6-methoxy-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-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is KLSNAVOANZFTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2/c1-30-20-5-2-13(9-25-20)16-10-26-22(29-12-14(8-24)28-21(16)29)27-11-17-15-6-7-31-19(15)4-3-18(17)23/h2-5,9-10,12H,6-7,11H2,1H3,(H,26,27).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 416.42 g/mol, XLogP of 3.36, 5 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-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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