1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid

C26H26N2O4 — CID 68697588

IUPAC1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
SMILESCCOCc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(C)C)cc4)ccc32)nc1
InChIInChI=1S/C26H26N2O4/c1-4-31-16-18-5-12-25(27-15-18)28-23-11-8-20(13-21(23)14-24(28)26(29)30)19-6-9-22(10-7-19)32-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,29,30)
InChIKeyVHUOGXLPHMOLHI-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.71
Rot. Bonds8

About 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid

1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid (PubChem CID 68697588) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
PubChem CID68697588
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
SMILESCCOCc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(C)C)cc4)ccc32)nc1
InChIInChI=1S/C26H26N2O4/c1-4-31-16-18-5-12-25(27-15-18)28-23-11-8-20(13-21(23)14-24(28)26(29)30)19-6-9-22(10-7-19)32-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,29,30)
InChIKeyVHUOGXLPHMOLHI-UHFFFAOYSA-N
XLogP5.71
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid with MolForge

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Related Compounds

1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68718953
ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
CID 68699637
5-(4-tert-butylphenyl)-1-(6-propan-2-yloxynaphthalen-2-yl)indole-2-carboxylic acid
CID 68695597
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
2-[3-phenylmethoxy-5-(4-propan-2-yloxyphenyl)phenyl]acetic acid
CID 11617753
ethyl 5-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68963470
1-(4-propan-2-yloxyphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 11541566
5-(4-tert-butylphenyl)-3-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68880614
2-(6-morpholin-4-yl-3-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53145860
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
4-[4-(2-carboxyethenyl)phenyl]-2-(4-propan-2-yloxyphenyl)thieno[3,2-b]pyrrole-5-carboxylic acid
CID 68912569

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The IUPAC name of 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid (CID 68697588) is 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The canonical SMILES for 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid is CCOCc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(C)C)cc4)ccc32)nc1.
What is the InChIKey of 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The InChIKey is VHUOGXLPHMOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-4-31-16-18-5-12-25(27-15-18)28-23-11-8-20(13-21(23)14-24(28)26(29)30)19-6-9-22(10-7-19)32-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,29,30).
What are the key properties of 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid is sourced from PubChem (CID 68697588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).