methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate

C24H30N4O3 — CID 23604055

IUPACmethyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C
InChIInChI=1S/C24H30N4O3/c1-14-17(15(2)25-22-21(14)16(3)27-28(22)24(4,5)6)12-13-20(29)26-19-11-9-8-10-18(19)23(30)31-7/h8-11H,12-13H2,1-7H3,(H,26,29)
InChIKeyVOEAUBNWQUAGGR-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.47
Rot. Bonds5

About methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate

methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate (PubChem CID 23604055) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate
PubChem CID23604055
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Namemethyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C
InChIInChI=1S/C24H30N4O3/c1-14-17(15(2)25-22-21(14)16(3)27-28(22)24(4,5)6)12-13-20(29)26-19-11-9-8-10-18(19)23(30)31-7/h8-11H,12-13H2,1-7H3,(H,26,29)
InChIKeyVOEAUBNWQUAGGR-UHFFFAOYSA-N
XLogP4.47
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate with MolForge

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Related Compounds

3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 23604082
methyl 2-[3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate
CID 20863327
methyl 2-[[2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxy]acetyl]amino]benzoate
CID 8530834
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
methyl 2-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]thiophene-3-carboxylate
CID 55876951
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-piperidin-1-ylsulfonylphenyl)propanamide
CID 55920209
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 46261829
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate (CID 23604055) is methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C.
What is the InChIKey of methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate?
The InChIKey is VOEAUBNWQUAGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-14-17(15(2)25-22-21(14)16(3)27-28(22)24(4,5)6)12-13-20(29)26-19-11-9-8-10-18(19)23(30)31-7/h8-11H,12-13H2,1-7H3,(H,26,29).
What are the key properties of methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate?
methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate has a molecular weight of 422.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzoate is sourced from PubChem (CID 23604055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).