ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate

C14H14N4O2 — CID 171835145

IUPACethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(-c3cn[nH]c3)nc2n1C
InChIInChI=1S/C14H14N4O2/c1-3-20-14(19)12-6-9-4-5-11(10-7-15-16-8-10)17-13(9)18(12)2/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyWDXGLVRQPJVCQC-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.14
Rot. Bonds3

About ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 171835145) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID171835145
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Nameethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(-c3cn[nH]c3)nc2n1C
InChIInChI=1S/C14H14N4O2/c1-3-20-14(19)12-6-9-4-5-11(10-7-15-16-8-10)17-13(9)18(12)2/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyWDXGLVRQPJVCQC-UHFFFAOYSA-N
XLogP2.14
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate (CID 171835145) is ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2ccc(-c3cn[nH]c3)nc2n1C.
What is the InChIKey of ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is WDXGLVRQPJVCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-20-14(19)12-6-9-4-5-11(10-7-15-16-8-10)17-13(9)18(12)2/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate?
ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 171835145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).