6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

C18H18N6O4 — CID 134031476

IUPAC6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N6O4/c1-10(2)23-16-13(9-19-23)8-15(11(3)20-16)18(26)22-21-17(25)12-4-6-14(7-5-12)24(27)28/h4-10H,1-3H3,(H,21,25)(H,22,26)
InChIKeyXCBJAYMFVMUDIF-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.30
Rot. Bonds4

About 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 134031476) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound Name6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID134031476
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N6O4/c1-10(2)23-16-13(9-19-23)8-15(11(3)20-16)18(26)22-21-17(25)12-4-6-14(7-5-12)24(27)28/h4-10H,1-3H3,(H,21,25)(H,22,26)
InChIKeyXCBJAYMFVMUDIF-UHFFFAOYSA-N
XLogP2.30
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
6-methyl-N-(4-methyl-3-nitrophenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25299268
N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 35803935
N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 47063560
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
N-(2,4-dichlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484356
N-(2,5-difluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484970
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
CID 33309444
6-methyl-1-propan-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43035643
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 134031476) is 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is XCBJAYMFVMUDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-10(2)23-16-13(9-19-23)8-15(11(3)20-16)18(26)22-21-17(25)12-4-6-14(7-5-12)24(27)28/h4-10H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 382.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 134031476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).