1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone

C20H16N4O — CID 44577698

IUPAC1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccncc1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H16N4O/c25-20(19-15-5-1-4-8-18(15)23-24-19)16-6-2-3-7-17(16)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
InChIKeyDRRAMGVRTONFNA-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.80
Rot. Bonds5

About 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone

1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone (PubChem CID 44577698) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
PubChem CID44577698
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccncc1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H16N4O/c25-20(19-15-5-1-4-8-18(15)23-24-19)16-6-2-3-7-17(16)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
InChIKeyDRRAMGVRTONFNA-UHFFFAOYSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone 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 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone (CID 44577698) is 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone is O=C(c1ccccc1NCc1ccncc1)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
The InChIKey is DRRAMGVRTONFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(19-15-5-1-4-8-18(15)23-24-19)16-6-2-3-7-17(16)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone has a molecular weight of 328.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 44577698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).