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

C22H28N8O2S2 — CID 71197107

IUPACN,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C22H28N8O2S2/c1-14-7-19(33-22(14)34(31,32)23-2)28-20-21-25-11-18(16-10-26-29(3)12-16)30(21)13-17(27-20)8-15-5-4-6-24-9-15/h7,10-13,15,23-24H,4-6,8-9H2,1-3H3,(H,27,28)
InChIKeyUBFQPTGYTGEUGH-UHFFFAOYSA-N
MW500.65 g/mol
LogP2.69
Rot. Bonds7

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

N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 71197107) has the molecular formula C22H28N8O2S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-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-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
PubChem CID71197107
Molecular FormulaC22H28N8O2S2
Molecular Weight500.65 g/mol
Exact Mass500.18
IUPAC NameN,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C
InChIInChI=1S/C22H28N8O2S2/c1-14-7-19(33-22(14)34(31,32)23-2)28-20-21-25-11-18(16-10-26-29(3)12-16)30(21)13-17(27-20)8-15-5-4-6-24-9-15/h7,10-13,15,23-24H,4-6,8-9H2,1-3H3,(H,27,28)
InChIKeyUBFQPTGYTGEUGH-UHFFFAOYSA-N
XLogP2.69
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-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-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 71197107) is N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-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-(piperidin-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-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is CNS(=O)(=O)c1sc(Nc2nc(CC3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)cc1C.
What is the InChIKey of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The InChIKey is UBFQPTGYTGEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2S2/c1-14-7-19(33-22(14)34(31,32)23-2)28-20-21-25-11-18(16-10-26-29(3)12-16)30(21)13-17(27-20)8-15-5-4-6-24-9-15/h7,10-13,15,23-24H,4-6,8-9H2,1-3H3,(H,27,28).
What are the key properties of N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
N,3-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 500.65 g/mol, XLogP of 2.69, 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-(piperidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 71197107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).