1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide

C26H33N5O3 — CID 55790344

IUPAC1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1C
InChIInChI=1S/C26H33N5O3/c1-14-9-8-10-21(15(14)2)34-17(4)24(32)28-29-25(33)19-13-20(18-11-12-18)27-23-22(19)16(3)30-31(23)26(5,6)7/h8-10,13,17-18H,11-12H2,1-7H3,(H,28,32)(H,29,33)
InChIKeyPCOGPPXRSDKWPG-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.22
Rot. Bonds5

About 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide

1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide (PubChem CID 55790344) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
PubChem CID55790344
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1C
InChIInChI=1S/C26H33N5O3/c1-14-9-8-10-21(15(14)2)34-17(4)24(32)28-29-25(33)19-13-20(18-11-12-18)27-23-22(19)16(3)30-31(23)26(5,6)7/h8-10,13,17-18H,11-12H2,1-7H3,(H,28,32)(H,29,33)
InChIKeyPCOGPPXRSDKWPG-UHFFFAOYSA-N
XLogP4.22
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide (CID 55790344) is 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
The InChIKey is PCOGPPXRSDKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-14-9-8-10-21(15(14)2)34-17(4)24(32)28-29-25(33)19-13-20(18-11-12-18)27-23-22(19)16(3)30-31(23)26(5,6)7/h8-10,13,17-18H,11-12H2,1-7H3,(H,28,32)(H,29,33).
What are the key properties of 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide?
1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide has a molecular weight of 463.58 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide is sourced from PubChem (CID 55790344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).