3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol

C20H25N5O2 — CID 15288320

IUPAC3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol
SMILESCOc1cncnc1N1CCN(CCCc2c[nH]c3ccc(O)cc23)CC1
InChIInChI=1S/C20H25N5O2/c1-27-19-13-21-14-23-20(19)25-9-7-24(8-10-25)6-2-3-15-12-22-18-5-4-16(26)11-17(15)18/h4-5,11-14,22,26H,2-3,6-10H2,1H3
InChIKeyPHMJQMZOHLKSPH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds6

About 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol

3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol (PubChem CID 15288320) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol
PubChem CID15288320
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol
SMILESCOc1cncnc1N1CCN(CCCc2c[nH]c3ccc(O)cc23)CC1
InChIInChI=1S/C20H25N5O2/c1-27-19-13-21-14-23-20(19)25-9-7-24(8-10-25)6-2-3-15-12-22-18-5-4-16(26)11-17(15)18/h4-5,11-14,22,26H,2-3,6-10H2,1H3
InChIKeyPHMJQMZOHLKSPH-UHFFFAOYSA-N
XLogP2.43
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol?
The IUPAC name of 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol (CID 15288320) is 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol?
The canonical SMILES for 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol is COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(O)cc23)CC1.
What is the InChIKey of 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol?
The InChIKey is PHMJQMZOHLKSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-19-13-21-14-23-20(19)25-9-7-24(8-10-25)6-2-3-15-12-22-18-5-4-16(26)11-17(15)18/h4-5,11-14,22,26H,2-3,6-10H2,1H3.
What are the key properties of 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol?
3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol has a molecular weight of 367.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol is sourced from PubChem (CID 15288320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).