1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

C20H20N4O4 — CID 22025208

IUPAC1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cccc(Oc3ccnc(C(=O)N4CCNCC4)c3)c21
InChIInChI=1S/C20H20N4O4/c1-23-16(20(26)27)11-13-3-2-4-17(18(13)23)28-14-5-6-22-15(12-14)19(25)24-9-7-21-8-10-24/h2-6,11-12,21H,7-10H2,1H3,(H,26,27)
InChIKeyUWFOKKCFBSSOEG-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.11
Rot. Bonds4

About 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (PubChem CID 22025208) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
PubChem CID22025208
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cccc(Oc3ccnc(C(=O)N4CCNCC4)c3)c21
InChIInChI=1S/C20H20N4O4/c1-23-16(20(26)27)11-13-3-2-4-17(18(13)23)28-14-5-6-22-15(12-14)19(25)24-9-7-21-8-10-24/h2-6,11-12,21H,7-10H2,1H3,(H,26,27)
InChIKeyUWFOKKCFBSSOEG-UHFFFAOYSA-N
XLogP2.11
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (CID 22025208) is 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is Cn1c(C(=O)O)cc2cccc(Oc3ccnc(C(=O)N4CCNCC4)c3)c21.
What is the InChIKey of 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The InChIKey is UWFOKKCFBSSOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-23-16(20(26)27)11-13-3-2-4-17(18(13)23)28-14-5-6-22-15(12-14)19(25)24-9-7-21-8-10-24/h2-6,11-12,21H,7-10H2,1H3,(H,26,27).
What are the key properties of 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[2-(piperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is sourced from PubChem (CID 22025208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).