N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine

C24H26FN5 — CID 11590771

IUPACN'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(F)cc1)Cc1cncc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C24H26FN5/c1-29(2)9-10-30(16-18-3-6-23(25)7-4-18)17-19-11-21(14-26-13-19)20-5-8-24-22(12-20)15-27-28-24/h3-8,11-15H,9-10,16-17H2,1-2H3,(H,27,28)
InChIKeyFFGTXIPVBHTPBM-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.33
Rot. Bonds8

About N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine

N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 11590771) has the molecular formula C24H26FN5 and a molecular weight of 403.51 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID11590771
Molecular FormulaC24H26FN5
Molecular Weight403.51 g/mol
Exact Mass403.22
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(F)cc1)Cc1cncc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C24H26FN5/c1-29(2)9-10-30(16-18-3-6-23(25)7-4-18)17-19-11-21(14-26-13-19)20-5-8-24-22(12-20)15-27-28-24/h3-8,11-15H,9-10,16-17H2,1-2H3,(H,27,28)
InChIKeyFFGTXIPVBHTPBM-UHFFFAOYSA-N
XLogP4.33
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine (CID 11590771) is N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1ccc(F)cc1)Cc1cncc(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is FFGTXIPVBHTPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5/c1-29(2)9-10-30(16-18-3-6-23(25)7-4-18)17-19-11-21(14-26-13-19)20-5-8-24-22(12-20)15-27-28-24/h3-8,11-15H,9-10,16-17H2,1-2H3,(H,27,28).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 403.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 11590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).