N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine

C33H31N15S3 — CID 157141799

IUPACN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4snc5sccc45)nccn23)cn1
InChIInChI=1S/C18H20N8S.C15H11N7S2/c1-25-11-13(9-22-25)15-10-21-18-17(20-5-6-26(15)18)23-16-7-14(24-27-16)12-3-2-4-19-8-12;1-21-8-9(6-18-21)11-7-17-13-12(16-3-4-22(11)13)19-14-10-2-5-23-15(10)20-24-14/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,23);2-8H,1H3,(H,16,19)
InChIKeyAKGSBQMCSOVVCJ-UHFFFAOYSA-N
MW733.92 g/mol
LogP6.34
Rot. Bonds7

About N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine

N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine (PubChem CID 157141799) has the molecular formula C33H31N15S3 and a molecular weight of 733.92 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine
PubChem CID157141799
Molecular FormulaC33H31N15S3
Molecular Weight733.92 g/mol
Exact Mass733.20
IUPAC NameN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4snc5sccc45)nccn23)cn1
InChIInChI=1S/C18H20N8S.C15H11N7S2/c1-25-11-13(9-22-25)15-10-21-18-17(20-5-6-26(15)18)23-16-7-14(24-27-16)12-3-2-4-19-8-12;1-21-8-9(6-18-21)11-7-17-13-12(16-3-4-22(11)13)19-14-10-2-5-23-15(10)20-24-14/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,23);2-8H,1H3,(H,16,19)
InChIKeyAKGSBQMCSOVVCJ-UHFFFAOYSA-N
XLogP6.34
TPSA157.89 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500733.92
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine with MolForge

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1,2-thiazol-5-amine
CID 56679965
2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 59503744
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1,3-thiazol-2-ylmethyl)-1,2-thiazol-5-amine
CID 145971147
N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503699
[2-[4-[6-Methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethanimidoyl] 3-fluoropyridine-4-carboximidothioate
CID 143756103
5-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162432938
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162433074
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine
CID 11494098
3-methyl-N-[3-(1-methylpyrazol-4-yl)-6-piperidin-3-ylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 11502104
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine
CID 11668032
N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
CID 16070084

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine (CID 157141799) is N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine is Cn1cc(-c2cnc3c(Nc4cc(C5CCCNC5)ns4)nccn23)cn1.Cn1cc(-c2cnc3c(Nc4snc5sccc45)nccn23)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine?
The InChIKey is AKGSBQMCSOVVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S.C15H11N7S2/c1-25-11-13(9-22-25)15-10-21-18-17(20-5-6-26(15)18)23-16-7-14(24-27-16)12-3-2-4-19-8-12;1-21-8-9(6-18-21)11-7-17-13-12(16-3-4-22(11)13)19-14-10-2-5-23-15(10)20-24-14/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,23);2-8H,1H3,(H,16,19).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine?
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine has a molecular weight of 733.92 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-3-yl-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-c][1,2]thiazol-3-amine is sourced from PubChem (CID 157141799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).