ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate

C19H26N2O3 — CID 166666514

IUPACethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C(C)C2CCC(O)CC2)c2ncccc12
InChIInChI=1S/C19H26N2O3/c1-4-24-19(23)17-13(3)21(18-16(17)6-5-11-20-18)12(2)14-7-9-15(22)10-8-14/h5-6,11-12,14-15,22H,4,7-10H2,1-3H3
InChIKeyUDNHCRUPQNOBEF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.63
Rot. Bonds4

About ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate

ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 166666514) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID166666514
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C(C)C2CCC(O)CC2)c2ncccc12
InChIInChI=1S/C19H26N2O3/c1-4-24-19(23)17-13(3)21(18-16(17)6-5-11-20-18)12(2)14-7-9-15(22)10-8-14/h5-6,11-12,14-15,22H,4,7-10H2,1-3H3
InChIKeyUDNHCRUPQNOBEF-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1R)-1-[4-(3-cyclopropyloxyazetidin-1-yl)cyclohexyl]ethyl]-2-(difluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 162516702
1-[1-[4-[(3,3-difluoroazetidin-1-yl)methyl]cyclohexyl]ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 175186567
ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 1-[(1R)-1-[4-(3-cyclopropyloxyazetidin-1-yl)cyclohexyl]ethyl]-5-fluoro-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 142590020
1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 142589954
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
1-(1-cyclohexylethyl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 142590023
ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
CID 54210099
1-[(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 163286243
1-[(1R)-1-[4-(3-methoxyazetidin-1-yl)cyclohexyl]ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 142589946
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate (CID 166666514) is ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1c(C)n(C(C)C2CCC(O)CC2)c2ncccc12.
What is the InChIKey of ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is UDNHCRUPQNOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-24-19(23)17-13(3)21(18-16(17)6-5-11-20-18)12(2)14-7-9-15(22)10-8-14/h5-6,11-12,14-15,22H,4,7-10H2,1-3H3.
What are the key properties of ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 166666514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).