5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine

C38H41N17OS2 — CID 143460914

IUPAC5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine
SMILESCc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C.Cn1cc(-c2cnc3c(Nc4cc5nccnc5s4)nc(CCN)cn23)cn1
InChIInChI=1S/C20H24N8OS.C18H17N9S/c1-12-7-16(30-17(12)20(29)26(2)3)25-18-19-22-9-15(13-8-23-27(4)10-13)28(19)11-14(24-18)5-6-21;1-26-9-11(7-23-26)14-8-22-17-16(24-12(2-3-19)10-27(14)17)25-15-6-13-18(28-15)21-5-4-20-13/h7-11H,5-6,21H2,1-4H3,(H,24,25);4-10H,2-3,19H2,1H3,(H,24,25)
InChIKeyIJOCICTVUPMEGD-UHFFFAOYSA-N
MW816.00 g/mol
LogP4.83
Rot. Bonds11

About 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine

5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine (PubChem CID 143460914) has the molecular formula C38H41N17OS2 and a molecular weight of 816.00 g/mol. Its IUPAC name is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine
PubChem CID143460914
Molecular FormulaC38H41N17OS2
Molecular Weight816.00 g/mol
Exact Mass815.31
IUPAC Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine
SMILESCc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C.Cn1cc(-c2cnc3c(Nc4cc5nccnc5s4)nc(CCN)cn23)cn1
InChIInChI=1S/C20H24N8OS.C18H17N9S/c1-12-7-16(30-17(12)20(29)26(2)3)25-18-19-22-9-15(13-8-23-27(4)10-13)28(19)11-14(24-18)5-6-21;1-26-9-11(7-23-26)14-8-22-17-16(24-12(2-3-19)10-27(14)17)25-15-6-13-18(28-15)21-5-4-20-13/h7-11H,5-6,21H2,1-4H3,(H,24,25);4-10H,2-3,19H2,1H3,(H,24,25)
InChIKeyIJOCICTVUPMEGD-UHFFFAOYSA-N
XLogP4.83
TPSA218.21 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.00
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]amino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120282
US10100058, Example 338
CID 134539578
US10100058, Example 155
CID 134539809
US10100058, Example 337
CID 134540218
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120291
2-methyl-N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 167989422
3-fluoro-N-[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]ethyl]pyridine-4-carboxamide
CID 59503470
N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-8-[5-(trifluoromethyl)triazol-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118168077
8-[5-(difluoromethyl)triazol-1-yl]-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168142
8-[5-(difluoromethyl)triazol-1-yl]-N-[1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168145
8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methylpyrimidin-5-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168167

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
The IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine (CID 143460914) is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine.
What is the SMILES notation for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
The canonical SMILES for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine is Cc1cc(Nc2nc(CCN)cn3c(-c4cnn(C)c4)cnc23)sc1C(=O)N(C)C.Cn1cc(-c2cnc3c(Nc4cc5nccnc5s4)nc(CCN)cn23)cn1.
What is the InChIKey of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
The InChIKey is IJOCICTVUPMEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS.C18H17N9S/c1-12-7-16(30-17(12)20(29)26(2)3)25-18-19-22-9-15(13-8-23-27(4)10-13)28(19)11-14(24-18)5-6-21;1-26-9-11(7-23-26)14-8-22-17-16(24-12(2-3-19)10-27(14)17)25-15-6-13-18(28-15)21-5-4-20-13/h7-11H,5-6,21H2,1-4H3,(H,24,25);4-10H,2-3,19H2,1H3,(H,24,25).
What are the key properties of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine?
5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine has a molecular weight of 816.00 g/mol, XLogP of 4.83, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N,3-trimethylthiophene-2-carboxamide;N-[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 143460914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).