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

C22H16ClFN6O2 — CID 155788032

IUPAC8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCOc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C22H16ClFN6O2/c1-31-20-6-17(23)14(8-26-20)16-10-28-22(30-11-12(7-25)29-21(16)30)27-9-15-13-4-5-32-19(13)3-2-18(15)24/h2-3,6,8,10-11H,4-5,9H2,1H3,(H,27,28)
InChIKeyWFYHTTBNCRIVNL-UHFFFAOYSA-N
MW450.86 g/mol
LogP4.01
Rot. Bonds5

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

8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788032) has the molecular formula C22H16ClFN6O2 and a molecular weight of 450.86 g/mol. Its IUPAC name is 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788032
Molecular FormulaC22H16ClFN6O2
Molecular Weight450.86 g/mol
Exact Mass450.10
IUPAC Name8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCOc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1
InChIInChI=1S/C22H16ClFN6O2/c1-31-20-6-17(23)14(8-26-20)16-10-28-22(30-11-12(7-25)29-21(16)30)27-9-15-13-4-5-32-19(13)3-2-18(15)24/h2-3,6,8,10-11H,4-5,9H2,1H3,(H,27,28)
InChIKeyWFYHTTBNCRIVNL-UHFFFAOYSA-N
XLogP4.01
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788032) is 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is COc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cn1.
What is the InChIKey of 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is WFYHTTBNCRIVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN6O2/c1-31-20-6-17(23)14(8-26-20)16-10-28-22(30-11-12(7-25)29-21(16)30)27-9-15-13-4-5-32-19(13)3-2-18(15)24/h2-3,6,8,10-11H,4-5,9H2,1H3,(H,27,28).
What are the key properties of 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 450.86 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-6-methoxy-3-pyridinyl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).