1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

C28H24N6O4 — CID 15958754

IUPAC1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2ccc3[nH]ccc3c2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c12
InChIInChI=1S/C28H24N6O4/c1-38-22-16-32-24(18-5-6-20-17(14-18)7-9-30-20)25-23(22)19(15-31-25)26(35)28(37)34-12-10-33(11-13-34)27(36)21-4-2-3-8-29-21/h2-9,14-16,30-31H,10-13H2,1H3
InChIKeyNQTJNLFDCJJYKT-UHFFFAOYSA-N
MW508.54 g/mol
LogP3.28
Rot. Bonds5

About 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 15958754) has the molecular formula C28H24N6O4 and a molecular weight of 508.54 g/mol. Its IUPAC name is 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID15958754
Molecular FormulaC28H24N6O4
Molecular Weight508.54 g/mol
Exact Mass508.19
IUPAC Name1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2ccc3[nH]ccc3c2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c12
InChIInChI=1S/C28H24N6O4/c1-38-22-16-32-24(18-5-6-20-17(14-18)7-9-30-20)25-23(22)19(15-31-25)26(35)28(37)34-12-10-33(11-13-34)27(36)21-4-2-3-8-29-21/h2-9,14-16,30-31H,10-13H2,1H3
InChIKeyNQTJNLFDCJJYKT-UHFFFAOYSA-N
XLogP3.28
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione (CID 15958754) is 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione is COc1cnc(-c2ccc3[nH]ccc3c2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c12.
What is the InChIKey of 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is NQTJNLFDCJJYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4/c1-38-22-16-32-24(18-5-6-20-17(14-18)7-9-30-20)25-23(22)19(15-31-25)26(35)28(37)34-12-10-33(11-13-34)27(36)21-4-2-3-8-29-21/h2-9,14-16,30-31H,10-13H2,1H3.
What are the key properties of 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 508.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1H-indol-5-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 15958754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).