(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

C21H22N4O5 — CID 42932998

IUPAC(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
SMILESCC(OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C(N)=O
InChIInChI=1S/C21H22N4O5/c1-11(2)25-20-15(10-23-25)14(21(27)30-12(3)19(22)26)9-16(24-20)13-4-5-17-18(8-13)29-7-6-28-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,26)
InChIKeyLQKBAPFAGWRZHH-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.48
Rot. Bonds5

About (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

(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 (PubChem CID 42932998) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID42932998
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name(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
SMILESCC(OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C(N)=O
InChIInChI=1S/C21H22N4O5/c1-11(2)25-20-15(10-23-25)14(21(27)30-12(3)19(22)26)9-16(24-20)13-4-5-17-18(8-13)29-7-6-28-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,26)
InChIKeyLQKBAPFAGWRZHH-UHFFFAOYSA-N
XLogP2.48
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

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
[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
[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
(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
(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-(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
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
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
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47835400
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 18135831
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622151

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(OC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)C(N)=O.
What is the InChIKey of (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?
The InChIKey is LQKBAPFAGWRZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-11(2)25-20-15(10-23-25)14(21(27)30-12(3)19(22)26)9-16(24-20)13-4-5-17-18(8-13)29-7-6-28-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,26).
What are the key properties of (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?
(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 has a molecular weight of 410.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 42932998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).