ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C20H20N6O4S — CID 155599720

IUPACethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]ccc2c1NC1CC(NS(=O)(=O)c2cc(C#N)ccn2)C1
InChIInChI=1S/C20H20N6O4S/c1-2-30-20(27)16-11-24-19-15(4-6-23-19)18(16)25-13-8-14(9-13)26-31(28,29)17-7-12(10-21)3-5-22-17/h3-7,11,13-14,26H,2,8-9H2,1H3,(H2,23,24,25)
InChIKeyMMSGQQOIFOEZBN-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.93
Rot. Bonds7

About ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 155599720) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID155599720
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC Nameethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]ccc2c1NC1CC(NS(=O)(=O)c2cc(C#N)ccn2)C1
InChIInChI=1S/C20H20N6O4S/c1-2-30-20(27)16-11-24-19-15(4-6-23-19)18(16)25-13-8-14(9-13)26-31(28,29)17-7-12(10-21)3-5-22-17/h3-7,11,13-14,26H,2,8-9H2,1H3,(H2,23,24,25)
InChIKeyMMSGQQOIFOEZBN-UHFFFAOYSA-N
XLogP1.93
TPSA149.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 155599720) is ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2[nH]ccc2c1NC1CC(NS(=O)(=O)c2cc(C#N)ccn2)C1.
What is the InChIKey of ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is MMSGQQOIFOEZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-2-30-20(27)16-11-24-19-15(4-6-23-19)18(16)25-13-8-14(9-13)26-31(28,29)17-7-12(10-21)3-5-22-17/h3-7,11,13-14,26H,2,8-9H2,1H3,(H2,23,24,25).
What are the key properties of ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 440.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(4-cyano-2-pyridinyl)sulfonylamino]cyclobutyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 155599720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).