N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide

C23H24N6O2 — CID 34058388

IUPACN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H24N6O2/c1-13-11-19(20-15(3)27-28(5)21(20)24-13)23(31)26-25-22(30)18-12-14(2)29(16(18)4)17-9-7-6-8-10-17/h6-12H,1-5H3,(H,25,30)(H,26,31)
InChIKeyJJPZJYKAOBUBBL-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.07
Rot. Bonds3

About N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide

N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide (PubChem CID 34058388) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
PubChem CID34058388
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c2c(C)nn(C)c2n1
InChIInChI=1S/C23H24N6O2/c1-13-11-19(20-15(3)27-28(5)21(20)24-13)23(31)26-25-22(30)18-12-14(2)29(16(18)4)17-9-7-6-8-10-17/h6-12H,1-5H3,(H,25,30)(H,26,31)
InChIKeyJJPZJYKAOBUBBL-UHFFFAOYSA-N
XLogP3.07
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 52655711
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CID 55588598
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
1,3,6-trimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 26249415
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
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1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622625
(5S)-5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
CID 96577698
5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
CID 70755027
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 2403352
[4-(3-methylphenyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609903
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide (CID 34058388) is N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c2c(C)nn(C)c2n1.
What is the InChIKey of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The InChIKey is JJPZJYKAOBUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-13-11-19(20-15(3)27-28(5)21(20)24-13)23(31)26-25-22(30)18-12-14(2)29(16(18)4)17-9-7-6-8-10-17/h6-12H,1-5H3,(H,25,30)(H,26,31).
What are the key properties of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide has a molecular weight of 416.49 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 34058388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).