2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide

C25H32N4O3 — CID 134808489

IUPAC2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
SMILESCn1nc(OC(C)(C)C(=O)NCCOc2ccccc2)c2cc(CN3CCCC3)ccc21
InChIInChI=1S/C25H32N4O3/c1-25(2,24(30)26-13-16-31-20-9-5-4-6-10-20)32-23-21-17-19(18-29-14-7-8-15-29)11-12-22(21)28(3)27-23/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3,(H,26,30)
InChIKeySUZBZFNKQPITCO-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.52
Rot. Bonds9

About 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide

2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide (PubChem CID 134808489) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
PubChem CID134808489
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide
SMILESCn1nc(OC(C)(C)C(=O)NCCOc2ccccc2)c2cc(CN3CCCC3)ccc21
InChIInChI=1S/C25H32N4O3/c1-25(2,24(30)26-13-16-31-20-9-5-4-6-10-20)32-23-21-17-19(18-29-14-7-8-15-29)11-12-22(21)28(3)27-23/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3,(H,26,30)
InChIKeySUZBZFNKQPITCO-UHFFFAOYSA-N
XLogP3.52
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-indazol-1-yl)-5-oxopentanamide
CID 22510410
N-(1-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 48995254
N-(2-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155516305
N-(2-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155519116
N-(1-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155533667
2-(2-methylphenoxy)-N-(2-propan-2-ylindazol-6-yl)acetamide
CID 155549666
4-(5-Methyl-1H-indazol-1-YL)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
CID 22510225
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134806428
N-(1-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155513499
2-(4-Methoxyphenyl)-1-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]ethanone
CID 155534725
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide (CID 134808489) is 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide is Cn1nc(OC(C)(C)C(=O)NCCOc2ccccc2)c2cc(CN3CCCC3)ccc21.
What is the InChIKey of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
The InChIKey is SUZBZFNKQPITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2,24(30)26-13-16-31-20-9-5-4-6-10-20)32-23-21-17-19(18-29-14-7-8-15-29)11-12-22(21)28(3)27-23/h4-6,9-12,17H,7-8,13-16,18H2,1-3H3,(H,26,30).
What are the key properties of 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide?
2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide has a molecular weight of 436.56 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-methyl-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 134808489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).