1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide

C18H25N5O2S — CID 53144924

IUPAC1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cn1
InChIInChI=1S/C18H25N5O2S/c1-4-23-13-16(10-20-23)26(24,25)21-9-7-15-12-22(11-14(2)3)18-17(15)6-5-8-19-18/h5-6,8,10,12-14,21H,4,7,9,11H2,1-3H3
InChIKeyVCVUNPACAYVOSF-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.43
Rot. Bonds8

About 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 53144924) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID53144924
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cn1
InChIInChI=1S/C18H25N5O2S/c1-4-23-13-16(10-20-23)26(24,25)21-9-7-15-12-22(11-14(2)3)18-17(15)6-5-8-19-18/h5-6,8,10,12-14,21H,4,7,9,11H2,1-3H3
InChIKeyVCVUNPACAYVOSF-UHFFFAOYSA-N
XLogP2.43
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide 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 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide (CID 53144924) is 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cn1.
What is the InChIKey of 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is VCVUNPACAYVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-4-23-13-16(10-20-23)26(24,25)21-9-7-15-12-22(11-14(2)3)18-17(15)6-5-8-19-18/h5-6,8,10,12-14,21H,4,7,9,11H2,1-3H3.
What are the key properties of 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 375.50 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 53144924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).