N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide

C27H33N5O4 — CID 134805444

IUPACN-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCCn1ccnc1)nn2Cc1cccc(OC)c1
InChIInChI=1S/C27H33N5O4/c1-27(2,26(33)29-11-6-13-31-14-12-28-19-31)36-25-23-16-21(18-34-3)9-10-24(23)32(30-25)17-20-7-5-8-22(15-20)35-4/h5,7-10,12,14-16,19H,6,11,13,17-18H2,1-4H3,(H,29,33)
InChIKeyRQDFKBRQASQUDM-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.80
Rot. Bonds12

About N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide

N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide (PubChem CID 134805444) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide
PubChem CID134805444
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCCn1ccnc1)nn2Cc1cccc(OC)c1
InChIInChI=1S/C27H33N5O4/c1-27(2,26(33)29-11-6-13-31-14-12-28-19-31)36-25-23-16-21(18-34-3)9-10-24(23)32(30-25)17-20-7-5-8-22(15-20)35-4/h5,7-10,12,14-16,19H,6,11,13,17-18H2,1-4H3,(H,29,33)
InChIKeyRQDFKBRQASQUDM-UHFFFAOYSA-N
XLogP3.80
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide (CID 134805444) is N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCCn1ccnc1)nn2Cc1cccc(OC)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide?
The InChIKey is RQDFKBRQASQUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-27(2,26(33)29-11-6-13-31-14-12-28-19-31)36-25-23-16-21(18-34-3)9-10-24(23)32(30-25)17-20-7-5-8-22(15-20)35-4/h5,7-10,12,14-16,19H,6,11,13,17-18H2,1-4H3,(H,29,33).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide?
N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide has a molecular weight of 491.59 g/mol, XLogP of 3.80, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide is sourced from PubChem (CID 134805444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).