N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C17H17FN6O — CID 94646796

IUPACN-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCc2cc(F)ccc21)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H17FN6O/c1-24(17-15-16(20-8-19-15)21-9-22-17)7-14(25)23-13-5-2-10-6-11(18)3-4-12(10)13/h3-4,6,8-9,13H,2,5,7H2,1H3,(H,23,25)(H,19,20,21,22)/t13-/m0/s1
InChIKeyRMOYVJBVTIWAGZ-ZDUSSCGKSA-N
MW340.36 g/mol
LogP1.73
Rot. Bonds4

About N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 94646796) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID94646796
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC NameN-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@H]1CCc2cc(F)ccc21)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H17FN6O/c1-24(17-15-16(20-8-19-15)21-9-22-17)7-14(25)23-13-5-2-10-6-11(18)3-4-12(10)13/h3-4,6,8-9,13H,2,5,7H2,1H3,(H,23,25)(H,19,20,21,22)/t13-/m0/s1
InChIKeyRMOYVJBVTIWAGZ-ZDUSSCGKSA-N
XLogP1.73
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide with MolForge

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Related Compounds

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51092559
N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646818
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646151
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124627986
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95321706
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479593
N-methyl-4-[[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]cyclohexane-1-carboxamide
CID 75480091
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733304
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
1-[3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 166191466
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 94646796) is N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)N[C@H]1CCc2cc(F)ccc21)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is RMOYVJBVTIWAGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-24(17-15-16(20-8-19-15)21-9-22-17)7-14(25)23-13-5-2-10-6-11(18)3-4-12(10)13/h3-4,6,8-9,13H,2,5,7H2,1H3,(H,23,25)(H,19,20,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 340.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 94646796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).