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

C22H18FN5O3 — CID 139381716

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
InChIInChI=1S/C22H18FN5O3/c1-12-13(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/h2-5,7,10-11H,6,8-9H2,1H3,(H,25,26)(H,29,30)
InChIKeyGUAVZVKIUUHFGS-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.48
Rot. Bonds5

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 139381716) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID139381716
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
InChIInChI=1S/C22H18FN5O3/c1-12-13(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/h2-5,7,10-11H,6,8-9H2,1H3,(H,25,26)(H,29,30)
InChIKeyGUAVZVKIUUHFGS-UHFFFAOYSA-N
XLogP3.48
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(2-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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 139381716) is 5-[(5-fluoro-2,3-dihydro-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-2,3-dihydro-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-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is GUAVZVKIUUHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-12-13(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/h2-5,7,10-11H,6,8-9H2,1H3,(H,25,26)(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 419.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 139381716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).