4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid

C23H26ClN3O3 — CID 146575370

IUPAC4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
SMILESCOc1cc(-c2[nH]c3ccc(C4CCN(C(=O)O)CC4)cc3c2C(C)C)cc(Cl)n1
InChIInChI=1S/C23H26ClN3O3/c1-13(2)21-17-10-15(14-6-8-27(9-7-14)23(28)29)4-5-18(17)25-22(21)16-11-19(24)26-20(12-16)30-3/h4-5,10-14,25H,6-9H2,1-3H3,(H,28,29)
InChIKeyXBTDQVMIJTZEMU-UHFFFAOYSA-N
MW427.93 g/mol
LogP5.87
Rot. Bonds4

About 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid

4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid (PubChem CID 146575370) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
PubChem CID146575370
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
SMILESCOc1cc(-c2[nH]c3ccc(C4CCN(C(=O)O)CC4)cc3c2C(C)C)cc(Cl)n1
InChIInChI=1S/C23H26ClN3O3/c1-13(2)21-17-10-15(14-6-8-27(9-7-14)23(28)29)4-5-18(17)25-22(21)16-11-19(24)26-20(12-16)30-3/h4-5,10-14,25H,6-9H2,1-3H3,(H,28,29)
InChIKeyXBTDQVMIJTZEMU-UHFFFAOYSA-N
XLogP5.87
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
tert-butyl 4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134329777
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329486
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
1-[4-[2-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 142593746
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087
4-amino-1-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 134230298
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid (CID 146575370) is 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid is COc1cc(-c2[nH]c3ccc(C4CCN(C(=O)O)CC4)cc3c2C(C)C)cc(Cl)n1.
What is the InChIKey of 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid?
The InChIKey is XBTDQVMIJTZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-13(2)21-17-10-15(14-6-8-27(9-7-14)23(28)29)4-5-18(17)25-22(21)16-11-19(24)26-20(12-16)30-3/h4-5,10-14,25H,6-9H2,1-3H3,(H,28,29).
What are the key properties of 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid?
4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid has a molecular weight of 427.93 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146575370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).