N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C26H26FN5O — CID 25175710

IUPACN-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cccc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C26H26FN5O/c1-31-11-13-32(14-12-31)22-8-6-20(7-9-22)26(33)28-25-23-17-19(5-10-24(23)29-30-25)15-18-3-2-4-21(27)16-18/h2-10,16-17H,11-15H2,1H3,(H2,28,29,30,33)
InChIKeyZFNSAIJSETZSMW-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.30
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 25175710) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID25175710
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cccc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C26H26FN5O/c1-31-11-13-32(14-12-31)22-8-6-20(7-9-22)26(33)28-25-23-17-19(5-10-24(23)29-30-25)15-18-3-2-4-21(27)16-18/h2-10,16-17H,11-15H2,1H3,(H2,28,29,30,33)
InChIKeyZFNSAIJSETZSMW-UHFFFAOYSA-N
XLogP4.30
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 25175710) is N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cccc(F)c5)cc34)cc2)CC1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is ZFNSAIJSETZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-31-11-13-32(14-12-31)22-8-6-20(7-9-22)26(33)28-25-23-17-19(5-10-24(23)29-30-25)15-18-3-2-4-21(27)16-18/h2-10,16-17H,11-15H2,1H3,(H2,28,29,30,33).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 443.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 25175710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).