N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide

C21H24ClN5O3 — CID 31957554

IUPACN'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C21H24ClN5O3/c1-11(2)17-9-15(16-10-23-27(12(3)4)19(16)24-17)21(29)26-25-20(28)14-7-6-13(22)8-18(14)30-5/h6-12H,1-5H3,(H,25,28)(H,26,29)
InChIKeyRAKYZHICFCPJJZ-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.87
Rot. Bonds5

About N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide

N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 31957554) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID31957554
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC NameN'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C21H24ClN5O3/c1-11(2)17-9-15(16-10-23-27(12(3)4)19(16)24-17)21(29)26-25-20(28)14-7-6-13(22)8-18(14)30-5/h6-12H,1-5H3,(H,25,28)(H,26,29)
InChIKeyRAKYZHICFCPJJZ-UHFFFAOYSA-N
XLogP3.87
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.87
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

N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636123
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N'-(2,5-dimethylfuran-3-carbonyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 30434109
N-[2-(2-methoxyphenyl)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30446403
[2-(2,5-dichloroanilino)-2-oxoethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 26179679
[1-(4-chloroanilino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 46796995
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55639554
methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 55802850
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[(2-methoxy-3-pyridinyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38534502

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 31957554) is N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.
What is the InChIKey of N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is RAKYZHICFCPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-11(2)17-9-15(16-10-23-27(12(3)4)19(16)24-17)21(29)26-25-20(28)14-7-6-13(22)8-18(14)30-5/h6-12H,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide?
N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 429.91 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxybenzoyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 31957554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).