[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone

C24H25N5O — CID 118960252

IUPAC[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1
InChIInChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27)
InChIKeyGEANABGVEPQZHT-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.18
Rot. Bonds4

About [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone

[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 118960252) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
PubChem CID118960252
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1
InChIInChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27)
InChIKeyGEANABGVEPQZHT-UHFFFAOYSA-N
XLogP4.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone 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-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone (CID 118960252) is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1.
What is the InChIKey of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is GEANABGVEPQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27).
What are the key properties of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 399.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118960252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).