1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

C19H18N2O2 — CID 167950654

IUPAC1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccnc2[nH]ccc12)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H18N2O2/c1-12(14-6-5-13-3-2-4-15(13)11-14)23-19(22)17-8-10-21-18-16(17)7-9-20-18/h5-12H,2-4H2,1H3,(H,20,21)
InChIKeyNRUGOMOKIYPPQT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.97
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 167950654) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID167950654
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCC(OC(=O)c1ccnc2[nH]ccc12)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H18N2O2/c1-12(14-6-5-13-3-2-4-15(13)11-14)23-19(22)17-8-10-21-18-16(17)7-9-20-18/h5-12H,2-4H2,1H3,(H,20,21)
InChIKeyNRUGOMOKIYPPQT-UHFFFAOYSA-N
XLogP3.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate (CID 167950654) is 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is CC(OC(=O)c1ccnc2[nH]ccc12)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is NRUGOMOKIYPPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(14-6-5-13-3-2-4-15(13)11-14)23-19(22)17-8-10-21-18-16(17)7-9-20-18/h5-12H,2-4H2,1H3,(H,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate?
1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 167950654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).