4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide

C21H18FN5O4 — CID 507953

IUPAC4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c[nH]c12
InChIInChI=1S/C21H18FN5O4/c22-14-5-4-12(19(23)29)17-16(14)13(11-25-17)18(28)21(31)27-9-7-26(8-10-27)20(30)15-3-1-2-6-24-15/h1-6,11,25H,7-10H2,(H2,23,29)
InChIKeyDSELVFZYYAFBGT-UHFFFAOYSA-N
MW423.40 g/mol
LogP0.97
Rot. Bonds4

About 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide

4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide (PubChem CID 507953) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide
PubChem CID507953
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c[nH]c12
InChIInChI=1S/C21H18FN5O4/c22-14-5-4-12(19(23)29)17-16(14)13(11-25-17)18(28)21(31)27-9-7-26(8-10-27)20(30)15-3-1-2-6-24-15/h1-6,11,25H,7-10H2,(H2,23,29)
InChIKeyDSELVFZYYAFBGT-UHFFFAOYSA-N
XLogP0.97
TPSA129.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
The IUPAC name of 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide (CID 507953) is 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
The canonical SMILES for 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide is NC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)c[nH]c12.
What is the InChIKey of 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
The InChIKey is DSELVFZYYAFBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c22-14-5-4-12(19(23)29)17-16(14)13(11-25-17)18(28)21(31)27-9-7-26(8-10-27)20(30)15-3-1-2-6-24-15/h1-6,11,25H,7-10H2,(H2,23,29).
What are the key properties of 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 507953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).