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

C44H33F2N11O5 — CID 158100844

IUPAC5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(=O)O)nc12.Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)nc12
InChIInChI=1S/C22H17FN6O2.C22H16FN5O3/c1-12-13(3-2-7-25-12)16-10-27-22(29-11-18(20(24)30)28-21(16)29)26-9-15-14-6-8-31-19(14)5-4-17(15)23;1-12-13(3-2-7-24-12)16-10-26-22(28-11-18(21(29)30)27-20(16)28)25-9-15-14-6-8-31-19(14)5-4-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,26,27);2-8,10-11H,9H2,1H3,(H,25,26)(H,29,30)
InChIKeyFPFSWXUXQNWTMC-UHFFFAOYSA-N
MW833.82 g/mol
LogP7.99
Rot. Bonds10

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

5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 158100844) has the molecular formula C44H33F2N11O5 and a molecular weight of 833.82 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-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID158100844
Molecular FormulaC44H33F2N11O5
Molecular Weight833.82 g/mol
Exact Mass833.26
IUPAC Name5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(=O)O)nc12.Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)nc12
InChIInChI=1S/C22H17FN6O2.C22H16FN5O3/c1-12-13(3-2-7-25-12)16-10-27-22(29-11-18(20(24)30)28-21(16)29)26-9-15-14-6-8-31-19(14)5-4-17(15)23;1-12-13(3-2-7-24-12)16-10-26-22(28-11-18(21(29)30)27-20(16)28)25-9-15-14-6-8-31-19(14)5-4-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,26,27);2-8,10-11H,9H2,1H3,(H,25,26)(H,29,30)
InChIKeyFPFSWXUXQNWTMC-UHFFFAOYSA-N
XLogP7.99
TPSA216.89 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.82
LogP ≤ 57.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

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Related Compounds

US10676479, Example 95
CID 139346167
Ethyl 8-(2,4-dimethylpyrimidin-5-yl)-5-(((5-fluoro-
CID 139346153
US10676479, Example 11
CID 139346197
Ethyl 8-(2,6-dimethylpyridin-3-yl)-5-(((5-fluoro-
CID 139346206
US11091495, Example 4
CID 139371731
US11220509, Example 3
CID 139381694
US11091495, Example 2
CID 139381716
US11091495, Example 3
CID 139381724
US11091495, Example 12
CID 139381725
US11091495, Example 138
CID 155676923
5-(2-Cyano-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidin-8-yl)picolinic acid
CID 155676938
US11091495, Example 6
CID 155788051

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-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 158100844) is 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.
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-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(=O)O)nc12.Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)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-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is FPFSWXUXQNWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2.C22H16FN5O3/c1-12-13(3-2-7-25-12)16-10-27-22(29-11-18(20(24)30)28-21(16)29)26-9-15-14-6-8-31-19(14)5-4-17(15)23;1-12-13(3-2-7-24-12)16-10-26-22(28-11-18(21(29)30)27-20(16)28)25-9-15-14-6-8-31-19(14)5-4-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,26,27);2-8,10-11H,9H2,1H3,(H,25,26)(H,29,30).
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-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 833.82 g/mol, XLogP of 7.99, 10 rotatable bonds, 4 hydrogen bond donors, and 14 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-carboxamide;5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 158100844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).