5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole

C25H28N4O2 — CID 141267704

IUPAC5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole
SMILESCOc1cc(-c2cc(-c3ccc4[nH]ccc4c3)c[nH]2)ccc1OCCN1CCNCC1
InChIInChI=1S/C25H28N4O2/c1-30-25-16-19(3-5-24(25)31-13-12-29-10-8-26-9-11-29)23-15-21(17-28-23)18-2-4-22-20(14-18)6-7-27-22/h2-7,14-17,26-28H,8-13H2,1H3
InChIKeyMDTBBGZPPUCIAO-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.12
Rot. Bonds7

About 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole

5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole (PubChem CID 141267704) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole.

Molecular Properties

Compound Name5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole
PubChem CID141267704
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole
SMILESCOc1cc(-c2cc(-c3ccc4[nH]ccc4c3)c[nH]2)ccc1OCCN1CCNCC1
InChIInChI=1S/C25H28N4O2/c1-30-25-16-19(3-5-24(25)31-13-12-29-10-8-26-9-11-29)23-15-21(17-28-23)18-2-4-22-20(14-18)6-7-27-22/h2-7,14-17,26-28H,8-13H2,1H3
InChIKeyMDTBBGZPPUCIAO-UHFFFAOYSA-N
XLogP4.12
TPSA65.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole?
The IUPAC name of 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole (CID 141267704) is 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole.
What is the SMILES notation for 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole?
The canonical SMILES for 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole is COc1cc(-c2cc(-c3ccc4[nH]ccc4c3)c[nH]2)ccc1OCCN1CCNCC1.
What is the InChIKey of 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole?
The InChIKey is MDTBBGZPPUCIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-30-25-16-19(3-5-24(25)31-13-12-29-10-8-26-9-11-29)23-15-21(17-28-23)18-2-4-22-20(14-18)6-7-27-22/h2-7,14-17,26-28H,8-13H2,1H3.
What are the key properties of 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole?
5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole has a molecular weight of 416.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-methoxy-4-(2-piperazin-1-ylethoxy)phenyl]-1H-pyrrol-3-yl]-1H-indole is sourced from PubChem (CID 141267704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).