1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C19H18N6O2S — CID 78832578

IUPAC1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCC(C)n1ncc2c(C(=O)NNC(=O)c3ccc[nH]3)cc(-c3cccs3)nc21
InChIInChI=1S/C19H18N6O2S/c1-11(2)25-17-13(10-21-25)12(9-15(22-17)16-6-4-8-28-16)18(26)23-24-19(27)14-5-3-7-20-14/h3-11,20H,1-2H3,(H,23,26)(H,24,27)
InChIKeyYLHDSNAPDTYQSA-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.14
Rot. Bonds4

About 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide

1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 78832578) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID78832578
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCC(C)n1ncc2c(C(=O)NNC(=O)c3ccc[nH]3)cc(-c3cccs3)nc21
InChIInChI=1S/C19H18N6O2S/c1-11(2)25-17-13(10-21-25)12(9-15(22-17)16-6-4-8-28-16)18(26)23-24-19(27)14-5-3-7-20-14/h3-11,20H,1-2H3,(H,23,26)(H,24,27)
InChIKeyYLHDSNAPDTYQSA-UHFFFAOYSA-N
XLogP3.14
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78832388
N-(2-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581167
N'-[2-(4-fluorophenoxy)propanoyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 46674105
N-(4-acetamidophenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 45492956
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60517379
N-(1-amino-2-methylpropan-2-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119521467
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
1-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530413
N-(4-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580376
N-(1-methylpyrazol-3-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17393600
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654897

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 78832578) is 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is CC(C)n1ncc2c(C(=O)NNC(=O)c3ccc[nH]3)cc(-c3cccs3)nc21.
What is the InChIKey of 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is YLHDSNAPDTYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-11(2)25-17-13(10-21-25)12(9-15(22-17)16-6-4-8-28-16)18(26)23-24-19(27)14-5-3-7-20-14/h3-11,20H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 394.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 78832578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).