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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-fluoroethyl)-5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87383271
4-(azetidine-1-carbonyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 67384213
5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 53468241
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
4-N-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1-pyridin-3-ylethyl)pyrazole-4,5-dicarboxamide
CID 67392157
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
CID 53469437
5-[2-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]acetyl]-1-methylpyrazole-4-carboxylic acid
CID 58446951
(5-carbamoyl-1-methylpyrazole-4-carbonyl)-(2-fluoroethyl)-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-methylazanium
CID 123156727
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 53467806

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).