[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

C20H21ClN4O2 — CID 71725047

IUPAC[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2cncc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-16-12-17(14-22-13-16)27-10-9-24-5-7-25(8-6-24)20(26)19-11-15-3-1-2-4-18(15)23-19/h1-4,11-14,23H,5-10H2
InChIKeyMQJQYLQPSMPNAA-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.05
Rot. Bonds5

About [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 71725047) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID71725047
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2cncc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-16-12-17(14-22-13-16)27-10-9-24-5-7-25(8-6-24)20(26)19-11-15-3-1-2-4-18(15)23-19/h1-4,11-14,23H,5-10H2
InChIKeyMQJQYLQPSMPNAA-UHFFFAOYSA-N
XLogP3.05
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 71725047) is [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2cncc(Cl)c2)CC1.
What is the InChIKey of [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is MQJQYLQPSMPNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-16-12-17(14-22-13-16)27-10-9-24-5-7-25(8-6-24)20(26)19-11-15-3-1-2-4-18(15)23-19/h1-4,11-14,23H,5-10H2.
What are the key properties of [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 384.87 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 71725047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).