ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate

C23H20N2O3 — CID 132968942

IUPACethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1-c1ccncc1
InChIInChI=1S/C23H20N2O3/c1-2-27-23(26)22-15-18-14-20(28-16-17-6-4-3-5-7-17)8-9-21(18)25(22)19-10-12-24-13-11-19/h3-15H,2,16H2,1H3
InChIKeyPUPHLPNVSBPDPN-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.78
Rot. Bonds6

About ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate

ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate (PubChem CID 132968942) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate
PubChem CID132968942
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Nameethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1-c1ccncc1
InChIInChI=1S/C23H20N2O3/c1-2-27-23(26)22-15-18-14-20(28-16-17-6-4-3-5-7-17)8-9-21(18)25(22)19-10-12-24-13-11-19/h3-15H,2,16H2,1H3
InChIKeyPUPHLPNVSBPDPN-UHFFFAOYSA-N
XLogP4.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate?
The IUPAC name of ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate (CID 132968942) is ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate.
What is the SMILES notation for ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate?
The canonical SMILES for ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate is CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1-c1ccncc1.
What is the InChIKey of ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate?
The InChIKey is PUPHLPNVSBPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-27-23(26)22-15-18-14-20(28-16-17-6-4-3-5-7-17)8-9-21(18)25(22)19-10-12-24-13-11-19/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate?
ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylmethoxy-1-pyridin-4-ylindole-2-carboxylate is sourced from PubChem (CID 132968942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).