5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine

C26H27N5 — CID 10158438

IUPAC5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)cn1
InChIInChI=1S/C26H27N5/c1-3-31(4-2)24-14-13-21(17-28-24)27-16-18-9-11-19(12-10-18)25-23-15-20-7-5-6-8-22(20)26(23)30-29-25/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,29,30)
InChIKeyZOLURBIWBSOIJV-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.50
Rot. Bonds7

About 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine

5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 10158438) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID10158438
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)cn1
InChIInChI=1S/C26H27N5/c1-3-31(4-2)24-14-13-21(17-28-24)27-16-18-9-11-19(12-10-18)25-23-15-20-7-5-6-8-22(20)26(23)30-29-25/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,29,30)
InChIKeyZOLURBIWBSOIJV-UHFFFAOYSA-N
XLogP5.50
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine (CID 10158438) is 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)cn1.
What is the InChIKey of 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is ZOLURBIWBSOIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-3-31(4-2)24-14-13-21(17-28-24)27-16-18-9-11-19(12-10-18)25-23-15-20-7-5-6-8-22(20)26(23)30-29-25/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,29,30).
What are the key properties of 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 409.54 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 10158438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).