ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

C23H23FN4O2 — CID 134202636

IUPACethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(C)c3C(C)C)cn12
InChIInChI=1S/C23H23FN4O2/c1-5-30-23(29)18-12-25-19-11-8-16(13-28(18)19)20-21(15-6-9-17(24)10-7-15)26-27(4)22(20)14(2)3/h6-14H,5H2,1-4H3
InChIKeyQDZMMBGQRDYMAW-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.84
Rot. Bonds5

About ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 134202636) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID134202636
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Nameethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(C)c3C(C)C)cn12
InChIInChI=1S/C23H23FN4O2/c1-5-30-23(29)18-12-25-19-11-8-16(13-28(18)19)20-21(15-6-9-17(24)10-7-15)26-27(4)22(20)14(2)3/h6-14H,5H2,1-4H3
InChIKeyQDZMMBGQRDYMAW-UHFFFAOYSA-N
XLogP4.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 134202636) is ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(C)c3C(C)C)cn12.
What is the InChIKey of ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is QDZMMBGQRDYMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-5-30-23(29)18-12-25-19-11-8-16(13-28(18)19)20-21(15-6-9-17(24)10-7-15)26-27(4)22(20)14(2)3/h6-14H,5H2,1-4H3.
What are the key properties of ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(4-fluorophenyl)-1-methyl-5-propan-2-ylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 134202636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).