ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate

C28H30N2O4 — CID 68699637

IUPACethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)nc1
InChIInChI=1S/C28H30N2O4/c1-6-32-28(31)26-16-22-15-21(20-7-11-24(12-8-20)33-18(2)3)9-13-25(22)30(26)23-10-14-27(29-17-23)34-19(4)5/h7-19H,6H2,1-5H3
InChIKeyLMSMXAUTPXQGPV-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.44
Rot. Bonds8

About ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate

ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate (PubChem CID 68699637) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
PubChem CID68699637
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Nameethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)nc1
InChIInChI=1S/C28H30N2O4/c1-6-32-28(31)26-16-22-15-21(20-7-11-24(12-8-20)33-18(2)3)9-13-25(22)30(26)23-10-14-27(29-17-23)34-19(4)5/h7-19H,6H2,1-5H3
InChIKeyLMSMXAUTPXQGPV-UHFFFAOYSA-N
XLogP6.44
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate 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-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68963470
1-[5-(ethoxymethyl)-2-pyridinyl]-5-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
CID 68697588
ethyl 4-acetamido-1,5-bis(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68695991
5-(4-tert-butylphenyl)-3-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68880614
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
CID 142686421
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356
ethyl 2-[5-[(5-nitro-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)indol-2-yl]acetate
CID 141151394
5-(4-tert-butylphenyl)-1-(6-propan-2-yloxynaphthalen-2-yl)indole-2-carboxylic acid
CID 68695597
ethyl 5-(4-tert-butylphenyl)-1,3-bis(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68880421
ethyl 5-bromo-3-chloro-1-(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68696654
ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
CID 101012963

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate (CID 68699637) is ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)nc1.
What is the InChIKey of ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate?
The InChIKey is LMSMXAUTPXQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-6-32-28(31)26-16-22-15-21(20-7-11-24(12-8-20)33-18(2)3)9-13-25(22)30(26)23-10-14-27(29-17-23)34-19(4)5/h7-19H,6H2,1-5H3.
What are the key properties of ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate?
ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate is sourced from PubChem (CID 68699637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).