[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C26H28N4O4 — CID 16622883

IUPAC[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c12
InChIInChI=1S/C26H28N4O4/c1-15-23-19(14-20(16-3-4-16)27-25(23)29(2)28-15)26(32)30-9-7-17(8-10-30)24(31)18-5-6-21-22(13-18)34-12-11-33-21/h5-6,13-14,16-17H,3-4,7-12H2,1-2H3
InChIKeyULVQAFQRZIBOSX-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.66
Rot. Bonds4

About [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 16622883) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID16622883
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c12
InChIInChI=1S/C26H28N4O4/c1-15-23-19(14-20(16-3-4-16)27-25(23)29(2)28-15)26(32)30-9-7-17(8-10-30)24(31)18-5-6-21-22(13-18)34-12-11-33-21/h5-6,13-14,16-17H,3-4,7-12H2,1-2H3
InChIKeyULVQAFQRZIBOSX-UHFFFAOYSA-N
XLogP3.66
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 16622883) is [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c12.
What is the InChIKey of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is ULVQAFQRZIBOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-15-23-19(14-20(16-3-4-16)27-25(23)29(2)28-15)26(32)30-9-7-17(8-10-30)24(31)18-5-6-21-22(13-18)34-12-11-33-21/h5-6,13-14,16-17H,3-4,7-12H2,1-2H3.
What are the key properties of [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 460.53 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 16622883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).