1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid

C24H27N3O5 — CID 67615447

IUPAC1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)O)ccc43)nc2)CC1
InChIInChI=1S/C24H27N3O5/c1-24(2,3)32-23(30)26-11-9-18(10-12-26)31-19-5-7-21(25-15-19)27-13-8-16-14-17(22(28)29)4-6-20(16)27/h4-8,13-15,18H,9-12H2,1-3H3,(H,28,29)
InChIKeyIERXGEXURYOQPG-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.50
Rot. Bonds4

About 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid

1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid (PubChem CID 67615447) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
PubChem CID67615447
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)O)ccc43)nc2)CC1
InChIInChI=1S/C24H27N3O5/c1-24(2,3)32-23(30)26-11-9-18(10-12-26)31-19-5-7-21(25-15-19)27-13-8-16-14-17(22(28)29)4-6-20(16)27/h4-8,13-15,18H,9-12H2,1-3H3,(H,28,29)
InChIKeyIERXGEXURYOQPG-UHFFFAOYSA-N
XLogP4.50
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
tert-butyl 4-[[6-[5-(dimethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67807780
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
4-[[6-[5-(2-hydroxyethylcarbamoyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67616289
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
pyrrolidin-1-yl-[1-[5-[1-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]methanone
CID 67615763
tert-butyl 4-[[6-[5-(2-methylpropanoylamino)indol-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 67805344
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid?
The IUPAC name of 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid (CID 67615447) is 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Oc2ccc(-n3ccc4cc(C(=O)O)ccc43)nc2)CC1.
What is the InChIKey of 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid?
The InChIKey is IERXGEXURYOQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-24(2,3)32-23(30)26-11-9-18(10-12-26)31-19-5-7-21(25-15-19)27-13-8-16-14-17(22(28)29)4-6-20(16)27/h4-8,13-15,18H,9-12H2,1-3H3,(H,28,29).
What are the key properties of 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid?
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid has a molecular weight of 437.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 67615447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).