N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide

C19H28N4O2S — CID 67570329

IUPACN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2n1
InChIInChI=1S/C19H28N4O2S/c1-19(2,3)26(24,25)22-17-7-6-16-18(21-17)15(12-20-16)13-8-10-23-9-4-5-14(23)11-13/h6-7,12-14,20H,4-5,8-11H2,1-3H3,(H,21,22)
InChIKeyGZALPFUGNAXTIK-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.44
Rot. Bonds3

About N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide

N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide (PubChem CID 67570329) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide
PubChem CID67570329
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2n1
InChIInChI=1S/C19H28N4O2S/c1-19(2,3)26(24,25)22-17-7-6-16-18(21-17)15(12-20-16)13-8-10-23-9-4-5-14(23)11-13/h6-7,12-14,20H,4-5,8-11H2,1-3H3,(H,21,22)
InChIKeyGZALPFUGNAXTIK-UHFFFAOYSA-N
XLogP3.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide (CID 67570329) is N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2n1.
What is the InChIKey of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is GZALPFUGNAXTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-19(2,3)26(24,25)22-17-7-6-16-18(21-17)15(12-20-16)13-8-10-23-9-4-5-14(23)11-13/h6-7,12-14,20H,4-5,8-11H2,1-3H3,(H,21,22).
What are the key properties of N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide?
N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 67570329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).