3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C89H116N32O3S4 — CID 123423798

About 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 123423798) has the molecular formula C89H116N32O3S4 and a molecular weight of 1810.40 g/mol. Its IUPAC name is 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• PubChem CID: 123423798
• Molecular Formula: C89H116N32O3S4
• Molecular Weight: 1810.40 g/mol
• Exact Mass: 1808.88
• IUPAC Name: 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• SMILES: CCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CC.CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1.CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1.CCOC[C@H]1CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1
• InChI: InChI=1S/C23H30N8OS.2C22H28N8OS.C22H30N8S/c1-3-30(23(15-32)7-5-4-6-8-23)14-18-9-20(33-29-18)28-21-22-24-12-19(17-10-25-26-11-17)31(22)13-16(2)27-21;1-3-29(22(14-31)6-4-5-7-22)13-17-8-19(32-28-17)27-20-21-23-11-18(16-9-24-25-10-16)30(21)12-15(2)26-20;1-3-31-14-18-6-4-5-7-29(18)13-17-8-20(32-28-17)27-21-22-23-11-19(16-9-24-25-10-16)30(22)12-15(2)26-21;1-6-8-29(22(4,5)7-2)14-17-9-19(31-28-17)27-20-21-23-12-18(16-10-24-25-11-16)30(21)13-15(3)26-20/h9-13,32H,3-8,14-15H2,1-2H3,(H,25,26)(H,27,28);8-12,31H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27);8-12,18H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27);9-13H,6-8,14H2,1-5H3,(H,24,25)(H,26,27)/t;;18-;/m..1./s1
• InChIKey: HCTZVOPTZXUVKY-WGLOWRSCSA-N
• XLogP: 16.95
• TPSA: 397.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1810.40
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The IUPAC name of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 123423798) is 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The canonical SMILES for 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CCCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CC.CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCC1.CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C1(CO)CCCCC1.CCOC[C@H]1CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.

What is the InChIKey of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The InChIKey is HCTZVOPTZXUVKY-WGLOWRSCSA-N. The full InChI is InChI=1S/C23H30N8OS.2C22H28N8OS.C22H30N8S/c1-3-30(23(15-32)7-5-4-6-8-23)14-18-9-20(33-29-18)28-21-22-24-12-19(17-10-25-26-11-17)31(22)13-16(2)27-21;1-3-29(22(14-31)6-4-5-7-22)13-17-8-19(32-28-17)27-20-21-23-11-18(16-9-24-25-10-16)30(21)12-15(2)26-20;1-3-31-14-18-6-4-5-7-29(18)13-17-8-20(32-28-17)27-21-22-23-11-19(16-9-24-25-10-16)30(22)12-15(2)26-21;1-6-8-29(22(4,5)7-2)14-17-9-19(31-28-17)27-20-21-23-12-18(16-10-24-25-11-16)30(21)13-15(3)26-20/h9-13,32H,3-8,14-15H2,1-2H3,(H,25,26)(H,27,28);8-12,31H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27);8-12,18H,3-7,13-14H2,1-2H3,(H,24,25)(H,26,27);9-13H,6-8,14H2,1-5H3,(H,24,25)(H,26,27)/t;;18-;/m..1./s1.

What are the key properties of 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 1810.40 g/mol, XLogP of 16.95, 33 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2R)-2-(ethoxymethyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclohexyl]methanol;[1-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]cyclopentyl]methanol;3-[[2-methylbutan-2-yl(propyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 123423798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).