(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H18N4O4 — CID 136766745

IUPAC(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O4/c1-9(2)19-15-12(8-17-19)13(14(20(22)23)16(21)18-15)10-5-4-6-11(7-10)24-3/h4-9,13-14H,1-3H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyWUZFJKDTBRHJSJ-ZIAGYGMSSA-N
MW330.34 g/mol
LogP2.20
Rot. Bonds4

About (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136766745) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136766745
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])c1
InChIInChI=1S/C16H18N4O4/c1-9(2)19-15-12(8-17-19)13(14(20(22)23)16(21)18-15)10-5-4-6-11(7-10)24-3/h4-9,13-14H,1-3H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyWUZFJKDTBRHJSJ-ZIAGYGMSSA-N
XLogP2.20
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-4-(3,4-difluorophenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136766781
methyl 4-[(4R,5R)-5-nitro-6-oxo-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136766757
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
5-nitro-1-propan-2-yl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636822
4-[3-(2-methylpropoxy)phenyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135633071
4-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634528
(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-1-propan-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136854187
1-propan-2-yl-4-(2,3,4-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632705
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
7-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 4308185

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136766745) is (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])c1.
What is the InChIKey of (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WUZFJKDTBRHJSJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9(2)19-15-12(8-17-19)13(14(20(22)23)16(21)18-15)10-5-4-6-11(7-10)24-3/h4-9,13-14H,1-3H3,(H,18,21)/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 330.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(3-methoxyphenyl)-5-nitro-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136766745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).