methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate

C24H23FN6O5 — CID 59278171

IUPACmethyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)OC)c(C)o1
InChIInChI=1S/C24H23FN6O5/c1-4-18(24-30-21(13(2)36-24)23(34)27-12-20(32)35-3)29-22(33)17-9-26-11-19-16(17)10-28-31(19)15-7-5-14(25)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,27,34)(H,29,33)
InChIKeyMVNAADPSNKMQIZ-UHFFFAOYSA-N
MW494.48 g/mol
LogP2.64
Rot. Bonds8

About methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate

methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate (PubChem CID 59278171) has the molecular formula C24H23FN6O5 and a molecular weight of 494.48 g/mol. Its IUPAC name is methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate
PubChem CID59278171
Molecular FormulaC24H23FN6O5
Molecular Weight494.48 g/mol
Exact Mass494.17
IUPAC Namemethyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)OC)c(C)o1
InChIInChI=1S/C24H23FN6O5/c1-4-18(24-30-21(13(2)36-24)23(34)27-12-20(32)35-3)29-22(33)17-9-26-11-19-16(17)10-28-31(19)15-7-5-14(25)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,27,34)(H,29,33)
InChIKeyMVNAADPSNKMQIZ-UHFFFAOYSA-N
XLogP2.64
TPSA141.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate (CID 59278171) is methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC(=O)OC)c(C)o1.
What is the InChIKey of methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?
The InChIKey is MVNAADPSNKMQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O5/c1-4-18(24-30-21(13(2)36-24)23(34)27-12-20(32)35-3)29-22(33)17-9-26-11-19-16(17)10-28-31(19)15-7-5-14(25)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,27,34)(H,29,33).
What are the key properties of methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate?
methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate has a molecular weight of 494.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 59278171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).