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

C23H20FN5O4 — CID 155788051

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

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCOc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)cn1
InChIInChI=1S/C23H20FN5O4/c1-12-7-20(32-2)25-8-14(12)16-10-27-23(29-11-18(22(30)31)28-21(16)29)26-9-15-13-5-6-33-19(13)4-3-17(15)24/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyFHBLZWLFAFLEQB-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.49
Rot. Bonds6

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 155788051) has the molecular formula C23H20FN5O4 and a molecular weight of 449.44 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID155788051
Molecular FormulaC23H20FN5O4
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCOc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)cn1
InChIInChI=1S/C23H20FN5O4/c1-12-7-20(32-2)25-8-14(12)16-10-27-23(29-11-18(22(30)31)28-21(16)29)26-9-15-13-5-6-33-19(13)4-3-17(15)24/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27)(H,30,31)
InChIKeyFHBLZWLFAFLEQB-UHFFFAOYSA-N
XLogP3.49
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 155788051) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is COc1cc(C)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(=O)O)nc23)cn1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is FHBLZWLFAFLEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4/c1-12-7-20(32-2)25-8-14(12)16-10-27-23(29-11-18(22(30)31)28-21(16)29)26-9-15-13-5-6-33-19(13)4-3-17(15)24/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27)(H,30,31).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-methoxy-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 449.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 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-4-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 155788051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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