1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid

C26H26N2O4 — CID 68718953

IUPAC1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(C)C)nc4)ccc32)cc1
InChIInChI=1S/C26H26N2O4/c1-16(2)31-22-9-7-21(8-10-22)28-23-11-5-18(13-20(23)14-24(28)26(29)30)19-6-12-25(27-15-19)32-17(3)4/h5-17H,1-4H3,(H,29,30)
InChIKeyNDHWJPPQWXMPAY-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.97
Rot. Bonds7

About 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid

1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid (PubChem CID 68718953) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
PubChem CID68718953
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(C)C)nc4)ccc32)cc1
InChIInChI=1S/C26H26N2O4/c1-16(2)31-22-9-7-21(8-10-22)28-23-11-5-18(13-20(23)14-24(28)26(29)30)19-6-12-25(27-15-19)32-17(3)4/h5-17H,1-4H3,(H,29,30)
InChIKeyNDHWJPPQWXMPAY-UHFFFAOYSA-N
XLogP5.97
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
CID 142686421
1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
CID 68697588
5-(4-tert-butylphenyl)-3-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68880614
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
1-(4-propan-2-yloxyphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 11541566
tert-butyl N-[2-[[1-(4-propan-2-yloxyphenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indole-2-carbonyl]amino]ethyl]carbamate
CID 68967479
ethyl 2-[5-[(5-nitro-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)indol-2-yl]acetate
CID 141151394
4-[4-(2-carboxyethenyl)phenyl]-2-(4-propan-2-yloxyphenyl)thieno[3,2-b]pyrrole-5-carboxylic acid
CID 68912569
1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
CID 86616823
2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 121254066

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid (CID 68718953) is 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid is CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(OC(C)C)nc4)ccc32)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid?
The InChIKey is NDHWJPPQWXMPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-16(2)31-22-9-7-21(8-10-22)28-23-11-5-18(13-20(23)14-24(28)26(29)30)19-6-12-25(27-15-19)32-17(3)4/h5-17H,1-4H3,(H,29,30).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid?
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid is sourced from PubChem (CID 68718953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).