5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide

C19H22N4O2S2 — CID 25122396

IUPAC5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)s1
InChIInChI=1S/C19H22N4O2S2/c24-27(25,23-13-5-8-20-9-6-13)18-4-3-17(26-18)14-7-10-21-19-15(14)11-16(22-19)12-1-2-12/h3-4,7,10-13,20,23H,1-2,5-6,8-9H2,(H,21,22)
InChIKeyBPJMDMMACOZJQU-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.20
Rot. Bonds5

About 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide

5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide (PubChem CID 25122396) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide
PubChem CID25122396
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)s1
InChIInChI=1S/C19H22N4O2S2/c24-27(25,23-13-5-8-20-9-6-13)18-4-3-17(26-18)14-7-10-21-19-15(14)11-16(22-19)12-1-2-12/h3-4,7,10-13,20,23H,1-2,5-6,8-9H2,(H,21,22)
InChIKeyBPJMDMMACOZJQU-UHFFFAOYSA-N
XLogP3.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide with MolForge

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Related Compounds

N-(2-aminoethyl)-5-(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
CID 25119215
N-piperidin-4-yl-5-[2-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
CID 70868044
N-(oxan-4-yl)-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 87461692
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
tert-butyl 5-[4-[5-[(1,1-dioxothian-4-yl)sulfamoyl]thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 59406249
4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(1,1-dioxothian-4-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 68634932
5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
CID 59406218
5-[(1S)-1-phenylethyl]-6-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
CID 150681530
N-[(2R)-2-hydroxypropyl]-5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
CID 25122021
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
1-[5-[2-(5-piperidin-4-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137111736
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide (CID 25122396) is 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)s1.
What is the InChIKey of 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide?
The InChIKey is BPJMDMMACOZJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c24-27(25,23-13-5-8-20-9-6-13)18-4-3-17(26-18)14-7-10-21-19-15(14)11-16(22-19)12-1-2-12/h3-4,7,10-13,20,23H,1-2,5-6,8-9H2,(H,21,22).
What are the key properties of 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide?
5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide has a molecular weight of 402.55 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide is sourced from PubChem (CID 25122396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).