N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide

C26H25F2N5O — CID 172687246

IUPACN-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccccc2C(=O)Nn2ncc3cc(Cc4cc(F)cc(F)c4)ccc32)CC1
InChIInChI=1S/C26H25F2N5O/c1-31-8-10-32(11-9-31)25-5-3-2-4-23(25)26(34)30-33-24-7-6-18(13-20(24)17-29-33)12-19-14-21(27)16-22(28)15-19/h2-7,13-17H,8-12H2,1H3,(H,30,34)
InChIKeyBEXKYFMGEMXSPQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.04
Rot. Bonds5

About N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide

N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 172687246) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID172687246
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccccc2C(=O)Nn2ncc3cc(Cc4cc(F)cc(F)c4)ccc32)CC1
InChIInChI=1S/C26H25F2N5O/c1-31-8-10-32(11-9-31)25-5-3-2-4-23(25)26(34)30-33-24-7-6-18(13-20(24)17-29-33)12-19-14-21(27)16-22(28)15-19/h2-7,13-17H,8-12H2,1H3,(H,30,34)
InChIKeyBEXKYFMGEMXSPQ-UHFFFAOYSA-N
XLogP4.04
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-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-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide (CID 172687246) is N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccccc2C(=O)Nn2ncc3cc(Cc4cc(F)cc(F)c4)ccc32)CC1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is BEXKYFMGEMXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-31-8-10-32(11-9-31)25-5-3-2-4-23(25)26(34)30-33-24-7-6-18(13-20(24)17-29-33)12-19-14-21(27)16-22(28)15-19/h2-7,13-17H,8-12H2,1H3,(H,30,34).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 461.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 172687246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).