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

C20H17FN6O3 — CID 67388420

IUPACethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)N(c1ccc(F)cc1)c1ccn2ccnc2n1
InChIInChI=1S/C20H17FN6O3/c1-3-30-19(29)15-12-23-25(2)17(15)18(28)27(14-6-4-13(21)5-7-14)16-8-10-26-11-9-22-20(26)24-16/h4-12H,3H2,1-2H3
InChIKeyMVSGAQGMKOOHFU-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.76
Rot. Bonds5

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

ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67388420) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67388420
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Nameethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)N(c1ccc(F)cc1)c1ccn2ccnc2n1
InChIInChI=1S/C20H17FN6O3/c1-3-30-19(29)15-12-23-25(2)17(15)18(28)27(14-6-4-13(21)5-7-14)16-8-10-26-11-9-22-20(26)24-16/h4-12H,3H2,1-2H3
InChIKeyMVSGAQGMKOOHFU-UHFFFAOYSA-N
XLogP2.76
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate (CID 67388420) is ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)N(c1ccc(F)cc1)c1ccn2ccnc2n1.
What is the InChIKey of ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is MVSGAQGMKOOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-3-30-19(29)15-12-23-25(2)17(15)18(28)27(14-6-4-13(21)5-7-14)16-8-10-26-11-9-22-20(26)24-16/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 408.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorophenyl)-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67388420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).