(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

C15H18N4O3 — CID 67962965

IUPAC(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)cc1
InChIInChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
InChIKeyJIZRZIAYUZMNRF-LBPRGKRZSA-N
MW302.33 g/mol
LogP0.63
Rot. Bonds3

About (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one

(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 67962965) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID67962965
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1ccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)cc1
InChIInChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
InChIKeyJIZRZIAYUZMNRF-LBPRGKRZSA-N
XLogP0.63
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-amino-7-hydroxy-3-[(3-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962969
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)propan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983756
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026588
(5S)-5-amino-7-hydroxy-2-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962966
(5S)-5-amino-7-hydroxy-2-[(3-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962982
(5S)-5-amino-7-hydroxy-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962983
(5S)-5-amino-7-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 71059499
6-Amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928085
7-(Aminomethyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928099
7-((Methylamino)methyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928144
2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026626
2-[4-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 134806484

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one (CID 67962965) is (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is COc1ccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)cc1.
What is the InChIKey of (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is JIZRZIAYUZMNRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one?
(5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 302.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 67962965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).