N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

C21H26N8O2S2 — CID 143460912

IUPACN,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(C4=CN(C)NC4)cnc23)cc1C
InChIInChI=1S/C21H26N8O2S2/c1-13-7-18(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)14-5-4-6-23-8-14/h5,7,10-12,22-23,25H,4,6,8-9H2,1-3H3,(H,26,27)
InChIKeyVXWNCZMSQFSCLS-UHFFFAOYSA-N
MW486.63 g/mol
LogP1.92
Rot. Bonds6

About N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 143460912) has the molecular formula C21H26N8O2S2 and a molecular weight of 486.63 g/mol. Its IUPAC name is N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
PubChem CID143460912
Molecular FormulaC21H26N8O2S2
Molecular Weight486.63 g/mol
Exact Mass486.16
IUPAC NameN,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(C4=CN(C)NC4)cnc23)cc1C
InChIInChI=1S/C21H26N8O2S2/c1-13-7-18(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)14-5-4-6-23-8-14/h5,7,10-12,22-23,25H,4,6,8-9H2,1-3H3,(H,26,27)
InChIKeyVXWNCZMSQFSCLS-UHFFFAOYSA-N
XLogP1.92
TPSA115.69 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143460462
3-methyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 71197074
N,N,3-trimethyl-5-[[3-(2-methyl-3H-pyridazin-5-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-carboxamide
CID 143465132
N-[3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
CID 58873936
2-methyl-N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine
CID 71195334
tert-butyl 5-[8-[[5-(cyclopropylsulfamoyl)-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58873884
N-[5-(azetidin-1-ylsulfonyl)-4-methylthiophen-2-yl]-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-N-(4-methyl-5-morpholin-4-ylsulfonylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)-N-(4-methyl-5-pyrrolidin-1-ylsulfonylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123704320
3-(2-methyl-1,5-dihydropyrazol-4-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
CID 143465275
N-(3-methyl-2-morpholin-4-ylsulfonyl-2,3-dihydrothiophen-5-yl)-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 89360135
3-(1-methylpyrazol-4-yl)-N-[4-(4H-pyrimidin-1-yl)phenyl]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143461145
N-[3,6-bis(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide;3-methyl-N-[3-(2-methyl-1H-pyrazol-2-ium-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2,4-thiadiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-pyrrolidin-3-yl-1,2-thiazol-5-amine;4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
CID 158081584
tert-butyl 5-[8-[[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]amino]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143460595

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The IUPAC name of N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 143460912) is N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.
What is the SMILES notation for N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The canonical SMILES for N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is CNS(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(C4=CN(C)NC4)cnc23)cc1C.
What is the InChIKey of N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The InChIKey is VXWNCZMSQFSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2S2/c1-13-7-18(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)14-5-4-6-23-8-14/h5,7,10-12,22-23,25H,4,6,8-9H2,1-3H3,(H,26,27).
What are the key properties of N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 486.63 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[[3-(2-methyl-1,5-dihydropyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 143460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).