5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide

C47H57N17O4S3 — CID 143465087

IUPAC5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCNC3)cn3c(C4=CN(C)N(CCNC(=O)c5sc(Nc6nc(CCN)cn7c(-c8cnn(C)c8)cnc67)cc5C)C4)cnc23)sc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C47H57N17O4S3/c1-28-17-38(57-42-44-51-21-36(31-20-53-59(3)23-31)63(44)26-34(54-42)8-11-48)69-40(28)46(65)50-13-16-61-25-32(24-60(61)4)37-22-52-45-43(56-35(27-64(37)45)30-7-6-12-49-19-30)58-39-18-29(2)41(70-39)47(66)55-33-9-14-62(15-10-33)71(5,67)68/h7,17-18,20-24,26-27,33,49H,6,8-16,19,25,48H2,1-5H3,(H,50,65)(H,54,57)(H,55,66)(H,56,58)
InChIKeyRLPZZWDBJOGNII-UHFFFAOYSA-N
MW1020.29 g/mol
LogP4.36
Rot. Bonds16

About 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide

5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 143465087) has the molecular formula C47H57N17O4S3 and a molecular weight of 1020.29 g/mol. Its IUPAC name is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID143465087
Molecular FormulaC47H57N17O4S3
Molecular Weight1020.29 g/mol
Exact Mass1019.39
IUPAC Name5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESCc1cc(Nc2nc(C3=CCCNC3)cn3c(C4=CN(C)N(CCNC(=O)c5sc(Nc6nc(CCN)cn7c(-c8cnn(C)c8)cnc67)cc5C)C4)cnc23)sc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C47H57N17O4S3/c1-28-17-38(57-42-44-51-21-36(31-20-53-59(3)23-31)63(44)26-34(54-42)8-11-48)69-40(28)46(65)50-13-16-61-25-32(24-60(61)4)37-22-52-45-43(56-35(27-64(37)45)30-7-6-12-49-19-30)58-39-18-29(2)41(70-39)47(66)55-33-9-14-62(15-10-33)71(5,67)68/h7,17-18,20-24,26-27,33,49H,6,8-16,19,25,48H2,1-5H3,(H,50,65)(H,54,57)(H,55,66)(H,56,58)
InChIKeyRLPZZWDBJOGNII-UHFFFAOYSA-N
XLogP4.36
TPSA242.37 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001020.29
LogP ≤ 54.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide with MolForge

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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
US10100058, Example 155
CID 134539809
US10100058, Example 242
CID 134540012
US10100058, Example 167
CID 134540194
US10100058, Example 337
CID 134540218
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
1-[2-[4-fluoro-2-[(6-methylsulfonylimidazo[1,2-a]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-4-[(1E)-2-pyridazin-4-ylbuta-1,3-dienyl]pyrazole-3-carboxamide
CID 139292294
US20240360134, Example 60
CID 167444282
N-cyclopentyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxamide
CID 23537778
N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide
CID 25144865
[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 25144866
N-[(3S)-1-[8-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46239129

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]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide (CID 143465087) is 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide is Cc1cc(Nc2nc(C3=CCCNC3)cn3c(C4=CN(C)N(CCNC(=O)c5sc(Nc6nc(CCN)cn7c(-c8cnn(C)c8)cnc67)cc5C)C4)cnc23)sc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is RLPZZWDBJOGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H57N17O4S3/c1-28-17-38(57-42-44-51-21-36(31-20-53-59(3)23-31)63(44)26-34(54-42)8-11-48)69-40(28)46(65)50-13-16-61-25-32(24-60(61)4)37-22-52-45-43(56-35(27-64(37)45)30-7-6-12-49-19-30)58-39-18-29(2)41(70-39)47(66)55-33-9-14-62(15-10-33)71(5,67)68/h7,17-18,20-24,26-27,33,49H,6,8-16,19,25,48H2,1-5H3,(H,50,65)(H,54,57)(H,55,66)(H,56,58).
What are the key properties of 5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide?
5-[[6-(2-aminoethyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 1020.29 g/mol, XLogP of 4.36, 16 rotatable bonds, 6 hydrogen bond donors, and 20 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]-3-methyl-N-[2-[1-methyl-4-[8-[[4-methyl-5-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]thiophen-2-yl]amino]-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-3-yl]-3H-pyrazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 143465087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).