N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

C21H26N8O2S2 — CID 71196556

IUPACN,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(CC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C21H26N8O2S2/c1-13-6-18(32-21(13)33(30,31)22-2)27-19-20-24-10-17(15-9-25-28(3)11-15)29(20)12-16(26-19)7-14-4-5-23-8-14/h6,9-12,14,22-23H,4-5,7-8H2,1-3H3,(H,26,27)
InChIKeyUBFPTDWXGJKDDJ-UHFFFAOYSA-N
MW486.63 g/mol
LogP2.30
Rot. Bonds7

About N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 71196556) has the molecular formula C21H26N8O2S2 and a molecular weight of 486.63 g/mol. Its IUPAC name is N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
PubChem CID71196556
Molecular FormulaC21H26N8O2S2
Molecular Weight486.63 g/mol
Exact Mass486.16
IUPAC NameN,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(CC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C21H26N8O2S2/c1-13-6-18(32-21(13)33(30,31)22-2)27-19-20-24-10-17(15-9-25-28(3)11-15)29(20)12-16(26-19)7-14-4-5-23-8-14/h6,9-12,14,22-23H,4-5,7-8H2,1-3H3,(H,26,27)
InChIKeyUBFPTDWXGJKDDJ-UHFFFAOYSA-N
XLogP2.30
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The IUPAC name of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 71196556) is N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.
What is the SMILES notation for N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The canonical SMILES for N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is CNS(=O)(=O)c1sc(Nc2nc(CC3CCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The InChIKey is UBFPTDWXGJKDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2S2/c1-13-6-18(32-21(13)33(30,31)22-2)27-19-20-24-10-17(15-9-25-28(3)11-15)29(20)12-16(26-19)7-14-4-5-23-8-14/h6,9-12,14,22-23H,4-5,7-8H2,1-3H3,(H,26,27).
What are the key properties of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 486.63 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 71196556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).