[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone

C24H28N4O3 — CID 18135831

IUPAC[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C24H28N4O3/c1-15(2)28-23-19(13-25-28)18(24(29)27-8-4-5-16(3)14-27)12-20(26-23)17-6-7-21-22(11-17)31-10-9-30-21/h6-7,11-13,15-16H,4-5,8-10,14H2,1-3H3
InChIKeySMNVEPXOCMOYRC-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.32
Rot. Bonds3

About [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 18135831) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID18135831
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C24H28N4O3/c1-15(2)28-23-19(13-25-28)18(24(29)27-8-4-5-16(3)14-27)12-20(26-23)17-6-7-21-22(11-17)31-10-9-30-21/h6-7,11-13,15-16H,4-5,8-10,14H2,1-3H3
InChIKeySMNVEPXOCMOYRC-UHFFFAOYSA-N
XLogP4.32
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

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
[3-(methylamino)piperidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119491906
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
(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
[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
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(1-propylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55517859
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2-methylpiperidin-1-yl)butyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60516172
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495889
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 [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [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) is [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)C1.
What is the InChIKey of [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SMNVEPXOCMOYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15(2)28-23-19(13-25-28)18(24(29)27-8-4-5-16(3)14-27)12-20(26-23)17-6-7-21-22(11-17)31-10-9-30-21/h6-7,11-13,15-16H,4-5,8-10,14H2,1-3H3.
What are the key properties of [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 420.51 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18135831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).