9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine

C21H18FN7 — CID 129244210

IUPAC9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
SMILESNCc1cc2c(-c3ccccc3F)ccc(Cn3cnc4c(N)ncnc43)c2[nH]1
InChIInChI=1S/C21H18FN7/c22-17-4-2-1-3-15(17)14-6-5-12(18-16(14)7-13(8-23)28-18)9-29-11-27-19-20(24)25-10-26-21(19)29/h1-7,10-11,28H,8-9,23H2,(H2,24,25,26)
InChIKeyZVWDEHHBEJITLU-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.20
Rot. Bonds4

About 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine

9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine (PubChem CID 129244210) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
PubChem CID129244210
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC Name9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine
SMILESNCc1cc2c(-c3ccccc3F)ccc(Cn3cnc4c(N)ncnc43)c2[nH]1
InChIInChI=1S/C21H18FN7/c22-17-4-2-1-3-15(17)14-6-5-12(18-16(14)7-13(8-23)28-18)9-29-11-27-19-20(24)25-10-26-21(19)29/h1-7,10-11,28H,8-9,23H2,(H2,24,25,26)
InChIKeyZVWDEHHBEJITLU-UHFFFAOYSA-N
XLogP3.20
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine (CID 129244210) is 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine is NCc1cc2c(-c3ccccc3F)ccc(Cn3cnc4c(N)ncnc43)c2[nH]1.
What is the InChIKey of 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine?
The InChIKey is ZVWDEHHBEJITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c22-17-4-2-1-3-15(17)14-6-5-12(18-16(14)7-13(8-23)28-18)9-29-11-27-19-20(24)25-10-26-21(19)29/h1-7,10-11,28H,8-9,23H2,(H2,24,25,26).
What are the key properties of 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine?
9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine has a molecular weight of 387.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(aminomethyl)-4-(2-fluorophenyl)-1H-indol-7-yl]methyl]purin-6-amine is sourced from PubChem (CID 129244210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).