APYFPTCHPWHPPR-UHFFFAOYSA-N

Name: APYFPTCHPWHPPR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₃₀N₂O₄ — CID 5275450

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid

SMILESCOc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N(C)C)cc1

InChIInChI=1S/C26H30N2O4/c1-27(2)23(29)16-28-22-15-19(26(30)31)11-14-21(22)24(17-7-5-4-6-8-17)25(28)18-9-12-20(32-3)13-10-18/h9-15,17H,4-8,16H2,1-3H3,(H,30,31)

InChIKeyAPYFPTCHPWHPPR-UHFFFAOYSA-N

MW434.54 g/mol

LogP5.15

Rot. Bonds6

About APYFPTCHPWHPPR-UHFFFAOYSA-N

APYFPTCHPWHPPR-UHFFFAOYSA-N (PubChem CID 5275450) has the molecular formula C₂₆H₃₀N₂O₄ and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name	APYFPTCHPWHPPR-UHFFFAOYSA-N
PubChem CID	5275450
Molecular Formula	C₂₆H₃₀N₂O₄
Molecular Weight	434.54 g/mol
Exact Mass	434.22
IUPAC Name	3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid
SMILES	COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N(C)C)cc1
InChI	InChI=1S/C26H30N2O4/c1-27(2)23(29)16-28-22-15-19(26(30)31)11-14-21(22)24(17-7-5-4-6-8-17)25(28)18-9-12-20(32-3)13-10-18/h9-15,17H,4-8,16H2,1-3H3,(H,30,31)
InChIKey	APYFPTCHPWHPPR-UHFFFAOYSA-N
XLogP	5.15
TPSA	71.77 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of APYFPTCHPWHPPR-UHFFFAOYSA-N?

The IUPAC name of APYFPTCHPWHPPR-UHFFFAOYSA-N (CID 5275450) is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)indole-6-carboxylic acid.

What is the SMILES notation for APYFPTCHPWHPPR-UHFFFAOYSA-N?

The canonical SMILES for APYFPTCHPWHPPR-UHFFFAOYSA-N is COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N(C)C)cc1.

What is the InChIKey of APYFPTCHPWHPPR-UHFFFAOYSA-N?

The InChIKey is APYFPTCHPWHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-27(2)23(29)16-28-22-15-19(26(30)31)11-14-21(22)24(17-7-5-4-6-8-17)25(28)18-9-12-20(32-3)13-10-18/h9-15,17H,4-8,16H2,1-3H3,(H,30,31).

What are the key properties of APYFPTCHPWHPPR-UHFFFAOYSA-N?

APYFPTCHPWHPPR-UHFFFAOYSA-N has a molecular weight of 434.54 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for APYFPTCHPWHPPR-UHFFFAOYSA-N is sourced from PubChem (CID 5275450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5275450 — identifiers, structure, computed properties (public domain)

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