5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C18H13FN6O3 — CID 71245150

IUPAC5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C18H13FN6O3/c1-24-15(12(8-20-24)17(27)28)16(26)22-14-5-6-25-9-13(21-18(25)23-14)10-3-2-4-11(19)7-10/h2-9H,1H3,(H,27,28)(H,21,22,23,26)
InChIKeyRHPSMJJZYUSZQJ-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.22
Rot. Bonds4

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

5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 71245150) has the molecular formula C18H13FN6O3 and a molecular weight of 380.34 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID71245150
Molecular FormulaC18H13FN6O3
Molecular Weight380.34 g/mol
Exact Mass380.10
IUPAC Name5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C18H13FN6O3/c1-24-15(12(8-20-24)17(27)28)16(26)22-14-5-6-25-9-13(21-18(25)23-14)10-3-2-4-11(19)7-10/h2-9H,1H3,(H,27,28)(H,21,22,23,26)
InChIKeyRHPSMJJZYUSZQJ-UHFFFAOYSA-N
XLogP2.22
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 71245150) is 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is RHPSMJJZYUSZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O3/c1-24-15(12(8-20-24)17(27)28)16(26)22-14-5-6-25-9-13(21-18(25)23-14)10-3-2-4-11(19)7-10/h2-9H,1H3,(H,27,28)(H,21,22,23,26).
What are the key properties of 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 380.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 71245150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).