3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole

C20H23ClN4O — CID 15068979

IUPAC3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCN(c4cccc(Cl)n4)CC3)c2c1
InChIInChI=1S/C20H23ClN4O/c1-26-16-5-6-18-17(13-16)15(14-22-18)7-8-24-9-11-25(12-10-24)20-4-2-3-19(21)23-20/h2-6,13-14,22H,7-12H2,1H3
InChIKeyYJQPVCZLFVZYPQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.59
Rot. Bonds5

About 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole

3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole (PubChem CID 15068979) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
PubChem CID15068979
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCN(c4cccc(Cl)n4)CC3)c2c1
InChIInChI=1S/C20H23ClN4O/c1-26-16-5-6-18-17(13-16)15(14-22-18)7-8-24-9-11-25(12-10-24)20-4-2-3-19(21)23-20/h2-6,13-14,22H,7-12H2,1H3
InChIKeyYJQPVCZLFVZYPQ-UHFFFAOYSA-N
XLogP3.59
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole (CID 15068979) is 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCN3CCN(c4cccc(Cl)n4)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
The InChIKey is YJQPVCZLFVZYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-26-16-5-6-18-17(13-16)15(14-22-18)7-8-24-9-11-25(12-10-24)20-4-2-3-19(21)23-20/h2-6,13-14,22H,7-12H2,1H3.
What are the key properties of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole?
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole has a molecular weight of 370.88 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole is sourced from PubChem (CID 15068979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).