1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

C20H21N3O3 — CID 22025177

IUPAC1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cccc(Oc3ccnc(CN4CCCC4)c3)c21
InChIInChI=1S/C20H21N3O3/c1-22-17(20(24)25)11-14-5-4-6-18(19(14)22)26-16-7-8-21-15(12-16)13-23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,25)
InChIKeyMUWVCCIXMACCJA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.66
Rot. Bonds5

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

1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (PubChem CID 22025177) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
PubChem CID22025177
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cccc(Oc3ccnc(CN4CCCC4)c3)c21
InChIInChI=1S/C20H21N3O3/c1-22-17(20(24)25)11-14-5-4-6-18(19(14)22)26-16-7-8-21-15(12-16)13-23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,25)
InChIKeyMUWVCCIXMACCJA-UHFFFAOYSA-N
XLogP3.66
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (CID 22025177) is 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is Cn1c(C(=O)O)cc2cccc(Oc3ccnc(CN4CCCC4)c3)c21.
What is the InChIKey of 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The InChIKey is MUWVCCIXMACCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22-17(20(24)25)11-14-5-4-6-18(19(14)22)26-16-7-8-21-15(12-16)13-23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,25).
What are the key properties of 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is sourced from PubChem (CID 22025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).