2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine

C18H13ClN6 — CID 155102822

IUPAC2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine
SMILESClc1nc(N2CCc3ccccc32)c2ncn(-c3cccnc3)c2n1
InChIInChI=1S/C18H13ClN6/c19-18-22-16(24-9-7-12-4-1-2-6-14(12)24)15-17(23-18)25(11-21-15)13-5-3-8-20-10-13/h1-6,8,10-11H,7,9H2
InChIKeyBJFAUYJGEMNGDF-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine

2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine (PubChem CID 155102822) has the molecular formula C18H13ClN6 and a molecular weight of 348.80 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine
PubChem CID155102822
Molecular FormulaC18H13ClN6
Molecular Weight348.80 g/mol
Exact Mass348.09
IUPAC Name2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine
SMILESClc1nc(N2CCc3ccccc32)c2ncn(-c3cccnc3)c2n1
InChIInChI=1S/C18H13ClN6/c19-18-22-16(24-9-7-12-4-1-2-6-14(12)24)15-17(23-18)25(11-21-15)13-5-3-8-20-10-13/h1-6,8,10-11H,7,9H2
InChIKeyBJFAUYJGEMNGDF-UHFFFAOYSA-N
XLogP3.56
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine?
The IUPAC name of 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine (CID 155102822) is 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine.
What is the SMILES notation for 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine?
The canonical SMILES for 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine is Clc1nc(N2CCc3ccccc32)c2ncn(-c3cccnc3)c2n1.
What is the InChIKey of 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine?
The InChIKey is BJFAUYJGEMNGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6/c19-18-22-16(24-9-7-12-4-1-2-6-14(12)24)15-17(23-18)25(11-21-15)13-5-3-8-20-10-13/h1-6,8,10-11H,7,9H2.
What are the key properties of 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine?
2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine has a molecular weight of 348.80 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydroindol-1-yl)-9-pyridin-3-ylpurine is sourced from PubChem (CID 155102822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).