N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine

C16H17FN4 — CID 56880237

IUPACN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
SMILESCCc1[nH]c2c(CNc3cnccn3)cc(F)cc2c1C
InChIInChI=1S/C16H17FN4/c1-3-14-10(2)13-7-12(17)6-11(16(13)21-14)8-20-15-9-18-4-5-19-15/h4-7,9,21H,3,8H2,1-2H3,(H,19,20)
InChIKeyYTBZHBKQAXBMPI-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.58
Rot. Bonds4

About N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine (PubChem CID 56880237) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
PubChem CID56880237
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
SMILESCCc1[nH]c2c(CNc3cnccn3)cc(F)cc2c1C
InChIInChI=1S/C16H17FN4/c1-3-14-10(2)13-7-12(17)6-11(16(13)21-14)8-20-15-9-18-4-5-19-15/h4-7,9,21H,3,8H2,1-2H3,(H,19,20)
InChIKeyYTBZHBKQAXBMPI-UHFFFAOYSA-N
XLogP3.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]pyrimidine-4,6-diamine
CID 56867744
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-methoxypyridine-2-carboxamide
CID 56918169
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 56874493
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 42245388
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
CID 95426875
N-[(4-bromo-2-fluorophenyl)methyl]pyrazin-2-amine
CID 149012639
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
ethane;N-ethylpyrazin-2-amine
CID 145154365

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine (CID 56880237) is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine is CCc1[nH]c2c(CNc3cnccn3)cc(F)cc2c1C.
What is the InChIKey of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine?
The InChIKey is YTBZHBKQAXBMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-3-14-10(2)13-7-12(17)6-11(16(13)21-14)8-20-15-9-18-4-5-19-15/h4-7,9,21H,3,8H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine?
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 56880237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).