N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide

C22H27N5O4 — CID 24627420

IUPACN'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)cc1OC
InChIInChI=1S/C22H27N5O4/c1-6-7-10-31-17-9-8-15(12-18(17)30-5)21(28)24-25-22(29)16-11-13(2)23-20-19(16)14(3)26-27(20)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyMFTXPOBGWOGTTG-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.85
Rot. Bonds7

About N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide (PubChem CID 24627420) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
PubChem CID24627420
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)cc1OC
InChIInChI=1S/C22H27N5O4/c1-6-7-10-31-17-9-8-15(12-18(17)30-5)21(28)24-25-22(29)16-11-13(2)23-20-19(16)14(3)26-27(20)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyMFTXPOBGWOGTTG-UHFFFAOYSA-N
XLogP2.85
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
CID 16609341
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46587133

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide (CID 24627420) is N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cc(C)nc3c2c(C)nn3C)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
The InChIKey is MFTXPOBGWOGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-6-7-10-31-17-9-8-15(12-18(17)30-5)21(28)24-25-22(29)16-11-13(2)23-20-19(16)14(3)26-27(20)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,24,28)(H,25,29).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide has a molecular weight of 425.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 24627420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).