[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C24H28N4O6 — CID 55506689

IUPAC[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOCC(C)NC(=O)COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
InChIInChI=1S/C24H28N4O6/c1-14(2)28-23-18(11-25-28)17(24(30)34-13-22(29)26-15(3)12-31-4)10-19(27-23)16-5-6-20-21(9-16)33-8-7-32-20/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3,(H,26,29)
InChIKeyYWOQYHQIAQCBFW-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.76
Rot. Bonds8

About [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55506689) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55506689
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOCC(C)NC(=O)COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
InChIInChI=1S/C24H28N4O6/c1-14(2)28-23-18(11-25-28)17(24(30)34-13-22(29)26-15(3)12-31-4)10-19(27-23)16-5-6-20-21(9-16)33-8-7-32-20/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3,(H,26,29)
InChIKeyYWOQYHQIAQCBFW-UHFFFAOYSA-N
XLogP2.76
TPSA113.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693749
[2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693693
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
(1-amino-1-oxopropan-2-yl) 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42932998
N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30476728
(1,3-dioxoisoindol-2-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694705
3-oxobutan-2-yl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43051262
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980450
N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486032
[2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693206
[1-(cyclohexylamino)-1-oxopropan-2-yl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694486

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 55506689) is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COCC(C)NC(=O)COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C.
What is the InChIKey of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is YWOQYHQIAQCBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-14(2)28-23-18(11-25-28)17(24(30)34-13-22(29)26-15(3)12-31-4)10-19(27-23)16-5-6-20-21(9-16)33-8-7-32-20/h5-6,9-11,14-15H,7-8,12-13H2,1-4H3,(H,26,29).
What are the key properties of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55506689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).