4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

C23H27FN6 — CID 145371656

IUPAC4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCc3cc(F)ccc32)c2ccccc2)c1N
InChIInChI=1S/C23H27FN6/c24-16-7-8-18-15(12-16)6-9-20(18)28-11-10-17(14-4-2-1-3-5-14)19-13-21(25)29-23(30-27)22(19)26/h1-5,7-8,12-13,17,20,28H,6,9-11,26-27H2,(H3,25,29,30)
InChIKeyXQQOPMDZKCHCGQ-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.47
Rot. Bonds7

About 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine

4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 145371656) has the molecular formula C23H27FN6 and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID145371656
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(C(CCNC2CCc3cc(F)ccc32)c2ccccc2)c1N
InChIInChI=1S/C23H27FN6/c24-16-7-8-18-15(12-16)6-9-20(18)28-11-10-17(14-4-2-1-3-5-14)19-13-21(25)29-23(30-27)22(19)26/h1-5,7-8,12-13,17,20,28H,6,9-11,26-27H2,(H3,25,29,30)
InChIKeyXQQOPMDZKCHCGQ-UHFFFAOYSA-N
XLogP3.47
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine with MolForge

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Related Compounds

7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678950
4-[2-(2-Fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
CID 126679898
7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 130450741
4-[2-(2-Fluorophenyl)-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450742
4-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450772
4-[(3-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
4-[(2-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270318
4-[(2,6-Difluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270327
4-[(2,5-Difluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270333
4-[(6-Fluoronaphthalen-2-yl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270340
4-[[3-(3-Fluorophenyl)phenyl]methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270362
4-[(2,4-Difluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270363

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine (CID 145371656) is 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(C(CCNC2CCc3cc(F)ccc32)c2ccccc2)c1N.
What is the InChIKey of 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is XQQOPMDZKCHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6/c24-16-7-8-18-15(12-16)6-9-20(18)28-11-10-17(14-4-2-1-3-5-14)19-13-21(25)29-23(30-27)22(19)26/h1-5,7-8,12-13,17,20,28H,6,9-11,26-27H2,(H3,25,29,30).
What are the key properties of 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine?
4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 406.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 145371656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).