(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

C15H18N4O2 — CID 67962970

IUPAC(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCCn1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C15H18N4O2/c1-2-18-13(8-10-6-4-3-5-7-10)11-9-12(16)15(20)19(21)14(11)17-18/h3-7,12,21H,2,8-9,16H2,1H3/t12-/m0/s1
InChIKeyVRCGFKBFAAAERR-LBPRGKRZSA-N
MW286.33 g/mol
LogP1.10
Rot. Bonds3

About (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 67962970) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID67962970
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCCn1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O
InChIInChI=1S/C15H18N4O2/c1-2-18-13(8-10-6-4-3-5-7-10)11-9-12(16)15(20)19(21)14(11)17-18/h3-7,12,21H,2,8-9,16H2,1H3/t12-/m0/s1
InChIKeyVRCGFKBFAAAERR-LBPRGKRZSA-N
XLogP1.10
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 67962970) is (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is CCn1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O.
What is the InChIKey of (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is VRCGFKBFAAAERR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-18-13(8-10-6-4-3-5-7-10)11-9-12(16)15(20)19(21)14(11)17-18/h3-7,12,21H,2,8-9,16H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
(5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 286.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-3-benzyl-2-ethyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 67962970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).