N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide

C24H23N3O3 — CID 146208988

IUPACN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C24H23N3O3/c1-30-21-7-3-5-18(14-21)22(10-11-28)26-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-25-27-23/h2-9,12-15,22,28H,10-11H2,1H3,(H,25,27)(H,26,29)
InChIKeyYAFRNRCTCOBKQN-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.09
Rot. Bonds7

About N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide

N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146208988) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146208988
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C24H23N3O3/c1-30-21-7-3-5-18(14-21)22(10-11-28)26-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-25-27-23/h2-9,12-15,22,28H,10-11H2,1H3,(H,25,27)(H,26,29)
InChIKeyYAFRNRCTCOBKQN-UHFFFAOYSA-N
XLogP4.09
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide 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-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide (CID 146208988) is N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide is COc1cccc(C(CCO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is YAFRNRCTCOBKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-21-7-3-5-18(14-21)22(10-11-28)26-24(29)19-6-2-4-16(12-19)17-8-9-23-20(13-17)15-25-27-23/h2-9,12-15,22,28H,10-11H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide?
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).