5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C20H17FN6O4 — CID 87382774

IUPAC5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3cccc(OCCF)c3)cn2cn1
InChIInChI=1S/C20H17FN6O4/c1-26-18(14(9-23-26)20(29)30)19(28)25-16-8-17-24-15(10-27(17)11-22-16)12-3-2-4-13(7-12)31-6-5-21/h2-4,7-11H,5-6H2,1H3,(H,25,28)(H,29,30)
InChIKeyIJFHNUXLQRANJQ-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.43
Rot. Bonds7

About 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 87382774) has the molecular formula C20H17FN6O4 and a molecular weight of 424.39 g/mol. Its IUPAC name is 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID87382774
Molecular FormulaC20H17FN6O4
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3cccc(OCCF)c3)cn2cn1
InChIInChI=1S/C20H17FN6O4/c1-26-18(14(9-23-26)20(29)30)19(28)25-16-8-17-24-15(10-27(17)11-22-16)12-3-2-4-13(7-12)31-6-5-21/h2-4,7-11H,5-6H2,1H3,(H,25,28)(H,29,30)
InChIKeyIJFHNUXLQRANJQ-UHFFFAOYSA-N
XLogP2.43
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 87382774) is 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3cccc(OCCF)c3)cn2cn1.
What is the InChIKey of 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is IJFHNUXLQRANJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O4/c1-26-18(14(9-23-26)20(29)30)19(28)25-16-8-17-24-15(10-27(17)11-22-16)12-3-2-4-13(7-12)31-6-5-21/h2-4,7-11H,5-6H2,1H3,(H,25,28)(H,29,30).
What are the key properties of 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 424.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-c]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 87382774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).