3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

C24H20N6O — CID 58847576

IUPAC3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H20N6O/c31-22(12-9-16-5-2-1-3-6-16)27-19-8-4-7-17(13-19)23-20-14-18(24-25-15-26-30-24)10-11-21(20)28-29-23/h1-8,10-11,13-15H,9,12H2,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyIIFMFEINOPYOOW-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.59
Rot. Bonds6

About 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide

3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (PubChem CID 58847576) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
PubChem CID58847576
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H20N6O/c31-22(12-9-16-5-2-1-3-6-16)27-19-8-4-7-17(13-19)23-20-14-18(24-25-15-26-30-24)10-11-21(20)28-29-23/h1-8,10-11,13-15H,9,12H2,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyIIFMFEINOPYOOW-UHFFFAOYSA-N
XLogP4.59
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide 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 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide (CID 58847576) is 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is O=C(CCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
The InChIKey is IIFMFEINOPYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c31-22(12-9-16-5-2-1-3-6-16)27-19-8-4-7-17(13-19)23-20-14-18(24-25-15-26-30-24)10-11-21(20)28-29-23/h1-8,10-11,13-15H,9,12H2,(H,27,31)(H,28,29)(H,25,26,30).
What are the key properties of 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide?
3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide has a molecular weight of 408.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 58847576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).