ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate

C20H17FN6O3 — CID 67384445

IUPACethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C20H17FN6O3/c1-3-30-19(29)14-10-22-26(2)17(14)18(28)24-16-8-9-27-11-15(23-20(27)25-16)12-4-6-13(21)7-5-12/h4-11H,3H2,1-2H3,(H,23,24,25,28)
InChIKeyRUWCYPJCMRRPHJ-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.70
Rot. Bonds5

About ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67384445) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67384445
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Nameethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C20H17FN6O3/c1-3-30-19(29)14-10-22-26(2)17(14)18(28)24-16-8-9-27-11-15(23-20(27)25-16)12-4-6-13(21)7-5-12/h4-11H,3H2,1-2H3,(H,23,24,25,28)
InChIKeyRUWCYPJCMRRPHJ-UHFFFAOYSA-N
XLogP2.70
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (CID 67384445) is ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is RUWCYPJCMRRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-3-30-19(29)14-10-22-26(2)17(14)18(28)24-16-8-9-27-11-15(23-20(27)25-16)12-4-6-13(21)7-5-12/h4-11H,3H2,1-2H3,(H,23,24,25,28).
What are the key properties of ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 408.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67384445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).