N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C21H19BrN6O2 — CID 43041655

IUPACN'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCCn1ncc2c(C(=O)NNC(=O)c3cc(Br)cn3C)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H19BrN6O2/c1-3-28-19-16(11-23-28)15(10-17(24-19)13-7-5-4-6-8-13)20(29)25-26-21(30)18-9-14(22)12-27(18)2/h4-12H,3H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySHAKJTABXOYAMI-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.29
Rot. Bonds4

About N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 43041655) has the molecular formula C21H19BrN6O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID43041655
Molecular FormulaC21H19BrN6O2
Molecular Weight467.33 g/mol
Exact Mass466.08
IUPAC NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCCn1ncc2c(C(=O)NNC(=O)c3cc(Br)cn3C)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H19BrN6O2/c1-3-28-19-16(11-23-28)15(10-17(24-19)13-7-5-4-6-8-13)20(29)25-26-21(30)18-9-14(22)12-27(18)2/h4-12H,3H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySHAKJTABXOYAMI-UHFFFAOYSA-N
XLogP3.29
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-6-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78835097
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059831
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43039567
1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60556984
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620000
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51315677

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 43041655) is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide is CCn1ncc2c(C(=O)NNC(=O)c3cc(Br)cn3C)cc(-c3ccccc3)nc21.
What is the InChIKey of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is SHAKJTABXOYAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN6O2/c1-3-28-19-16(11-23-28)15(10-17(24-19)13-7-5-4-6-8-13)20(29)25-26-21(30)18-9-14(22)12-27(18)2/h4-12H,3H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 467.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 43041655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).