ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate

C15H16N4O2 — CID 68704641

IUPACethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H16N4O2/c1-3-21-15(20)10-19-5-4-13-14(19)6-11(7-16-13)12-8-17-18(2)9-12/h4-9H,3,10H2,1-2H3
InChIKeyZHPCPHAZJDTWGF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.00
Rot. Bonds4

About ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate

ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate (PubChem CID 68704641) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
PubChem CID68704641
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H16N4O2/c1-3-21-15(20)10-19-5-4-13-14(19)6-11(7-16-13)12-8-17-18(2)9-12/h4-9H,3,10H2,1-2H3
InChIKeyZHPCPHAZJDTWGF-UHFFFAOYSA-N
XLogP2.00
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate (CID 68704641) is ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate is CCOC(=O)Cn1ccc2ncc(-c3cnn(C)c3)cc21.
What is the InChIKey of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
The InChIKey is ZHPCPHAZJDTWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-21-15(20)10-19-5-4-13-14(19)6-11(7-16-13)12-8-17-18(2)9-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate?
ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate has a molecular weight of 284.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]acetate is sourced from PubChem (CID 68704641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).