(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone

C24H28N4O — CID 44823411

IUPAC(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCCC3C)c12
InChIInChI=1S/C24H28N4O/c1-16-8-6-7-13-27(16)24(29)20-14-21(19-11-12-19)25-23-22(20)17(2)26-28(23)15-18-9-4-3-5-10-18/h3-5,9-10,14,16,19H,6-8,11-13,15H2,1-2H3
InChIKeyOOZDIPXCWVYWLP-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.68
Rot. Bonds4

About (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone

(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 44823411) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID44823411
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCCC3C)c12
InChIInChI=1S/C24H28N4O/c1-16-8-6-7-13-27(16)24(29)20-14-21(19-11-12-19)25-23-22(20)17(2)26-28(23)15-18-9-4-3-5-10-18/h3-5,9-10,14,16,19H,6-8,11-13,15H2,1-2H3
InChIKeyOOZDIPXCWVYWLP-UHFFFAOYSA-N
XLogP4.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone (CID 44823411) is (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone is Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCCC3C)c12.
What is the InChIKey of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is OOZDIPXCWVYWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-8-6-7-13-27(16)24(29)20-14-21(19-11-12-19)25-23-22(20)17(2)26-28(23)15-18-9-4-3-5-10-18/h3-5,9-10,14,16,19H,6-8,11-13,15H2,1-2H3.
What are the key properties of (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 44823411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).