N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

C20H24N8O2S2 — CID 71033531

IUPACN,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(C3CCCNC3)cn3c(-c4cn[nH]c4)cnc23)cc1C
InChIInChI=1S/C20H24N8O2S2/c1-12-6-17(31-20(12)32(29,30)21-2)27-18-19-23-10-16(14-8-24-25-9-14)28(19)11-15(26-18)13-4-3-5-22-7-13/h6,8-11,13,21-22H,3-5,7H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyUTFIJASSALKOJE-UHFFFAOYSA-N
MW472.60 g/mol
LogP2.61
Rot. Bonds6

About N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 71033531) has the molecular formula C20H24N8O2S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
PubChem CID71033531
Molecular FormulaC20H24N8O2S2
Molecular Weight472.60 g/mol
Exact Mass472.15
IUPAC NameN,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(C3CCCNC3)cn3c(-c4cn[nH]c4)cnc23)cc1C
InChIInChI=1S/C20H24N8O2S2/c1-12-6-17(31-20(12)32(29,30)21-2)27-18-19-23-10-16(14-8-24-25-9-14)28(19)11-15(26-18)13-4-3-5-22-7-13/h6,8-11,13,21-22H,3-5,7H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyUTFIJASSALKOJE-UHFFFAOYSA-N
XLogP2.61
TPSA129.10 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-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 N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The IUPAC name of N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 71033531) is N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.
What is the SMILES notation for N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The canonical SMILES for N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is CNS(=O)(=O)c1sc(Nc2nc(C3CCCNC3)cn3c(-c4cn[nH]c4)cnc23)cc1C.
What is the InChIKey of N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The InChIKey is UTFIJASSALKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S2/c1-12-6-17(31-20(12)32(29,30)21-2)27-18-19-23-10-16(14-8-24-25-9-14)28(19)11-15(26-18)13-4-3-5-22-7-13/h6,8-11,13,21-22H,3-5,7H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 472.60 g/mol, XLogP of 2.61, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[[6-piperidin-3-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 71033531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).