N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide

C30H35ClN4O3 — CID 67698113

IUPACN-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(N(C(C)=O)c3ccc(OC)cc3)cc12
InChIInChI=1S/C30H35ClN4O3/c1-5-33(6-2)18-7-19-38-30-28-20-26(35(22(3)36)25-12-15-27(37-4)16-13-25)14-17-29(28)34(32-30)21-23-8-10-24(31)11-9-23/h8-17,20H,5-7,18-19,21H2,1-4H3
InChIKeyOLTRKCSIBRFLQS-UHFFFAOYSA-N
MW535.09 g/mol
LogP6.54
Rot. Bonds12

About N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide

N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 67698113) has the molecular formula C30H35ClN4O3 and a molecular weight of 535.09 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID67698113
Molecular FormulaC30H35ClN4O3
Molecular Weight535.09 g/mol
Exact Mass534.24
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(N(C(C)=O)c3ccc(OC)cc3)cc12
InChIInChI=1S/C30H35ClN4O3/c1-5-33(6-2)18-7-19-38-30-28-20-26(35(22(3)36)25-12-15-27(37-4)16-13-25)14-17-29(28)34(32-30)21-23-8-10-24(31)11-9-23/h8-17,20H,5-7,18-19,21H2,1-4H3
InChIKeyOLTRKCSIBRFLQS-UHFFFAOYSA-N
XLogP6.54
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.09
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide 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-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide (CID 67698113) is N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide is CCN(CC)CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(N(C(C)=O)c3ccc(OC)cc3)cc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is OLTRKCSIBRFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O3/c1-5-33(6-2)18-7-19-38-30-28-20-26(35(22(3)36)25-12-15-27(37-4)16-13-25)14-17-29(28)34(32-30)21-23-8-10-24(31)11-9-23/h8-17,20H,5-7,18-19,21H2,1-4H3.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide?
N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 535.09 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-3-[3-(diethylamino)propoxy]indazol-5-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 67698113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).