8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine

C24H26N8 — CID 66802416

IUPAC8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine
SMILESCCn1cc(-c2nc3c(N4CCC(c5c[nH]c6ccccc56)CC4)ncnc3n2C)cn1
InChIInChI=1S/C24H26N8/c1-3-32-14-17(12-28-32)22-29-21-23(30(22)2)26-15-27-24(21)31-10-8-16(9-11-31)19-13-25-20-7-5-4-6-18(19)20/h4-7,12-16,25H,3,8-11H2,1-2H3
InChIKeyAFZRZGVZWGPSIW-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.11
Rot. Bonds4

About 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine

8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine (PubChem CID 66802416) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine.

Molecular Properties

Compound Name8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine
PubChem CID66802416
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine
SMILESCCn1cc(-c2nc3c(N4CCC(c5c[nH]c6ccccc56)CC4)ncnc3n2C)cn1
InChIInChI=1S/C24H26N8/c1-3-32-14-17(12-28-32)22-29-21-23(30(22)2)26-15-27-24(21)31-10-8-16(9-11-31)19-13-25-20-7-5-4-6-18(19)20/h4-7,12-16,25H,3,8-11H2,1-2H3
InChIKeyAFZRZGVZWGPSIW-UHFFFAOYSA-N
XLogP4.11
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine?
The IUPAC name of 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine (CID 66802416) is 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine.
What is the SMILES notation for 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine?
The canonical SMILES for 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine is CCn1cc(-c2nc3c(N4CCC(c5c[nH]c6ccccc56)CC4)ncnc3n2C)cn1.
What is the InChIKey of 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine?
The InChIKey is AFZRZGVZWGPSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-3-32-14-17(12-28-32)22-29-21-23(30(22)2)26-15-27-24(21)31-10-8-16(9-11-31)19-13-25-20-7-5-4-6-18(19)20/h4-7,12-16,25H,3,8-11H2,1-2H3.
What are the key properties of 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine?
8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine has a molecular weight of 426.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylpyrazol-4-yl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine is sourced from PubChem (CID 66802416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).