N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide

C26H26N6O3 — CID 74769557

IUPACN'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide
SMILESCc1cccn2cc(COc3ccc(C(=O)NNC(=O)C4CC(c5ccccc5)NN4)cc3)nc12
InChIInChI=1S/C26H26N6O3/c1-17-6-5-13-32-15-20(27-24(17)32)16-35-21-11-9-19(10-12-21)25(33)30-31-26(34)23-14-22(28-29-23)18-7-3-2-4-8-18/h2-13,15,22-23,28-29H,14,16H2,1H3,(H,30,33)(H,31,34)
InChIKeyRGYDTAMTGYSXMX-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.59
Rot. Bonds6

About N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide

N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide (PubChem CID 74769557) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide
PubChem CID74769557
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide
SMILESCc1cccn2cc(COc3ccc(C(=O)NNC(=O)C4CC(c5ccccc5)NN4)cc3)nc12
InChIInChI=1S/C26H26N6O3/c1-17-6-5-13-32-15-20(27-24(17)32)16-35-21-11-9-19(10-12-21)25(33)30-31-26(34)23-14-22(28-29-23)18-7-3-2-4-8-18/h2-13,15,22-23,28-29H,14,16H2,1H3,(H,30,33)(H,31,34)
InChIKeyRGYDTAMTGYSXMX-UHFFFAOYSA-N
XLogP2.59
TPSA108.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide?
The IUPAC name of N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide (CID 74769557) is N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide.
What is the SMILES notation for N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide?
The canonical SMILES for N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide is Cc1cccn2cc(COc3ccc(C(=O)NNC(=O)C4CC(c5ccccc5)NN4)cc3)nc12.
What is the InChIKey of N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide?
The InChIKey is RGYDTAMTGYSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-17-6-5-13-32-15-20(27-24(17)32)16-35-21-11-9-19(10-12-21)25(33)30-31-26(34)23-14-22(28-29-23)18-7-3-2-4-8-18/h2-13,15,22-23,28-29H,14,16H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide?
N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide has a molecular weight of 470.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide is sourced from PubChem (CID 74769557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).