3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol

C109H138N40O4S5 — CID 123514079

About 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol

3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol (PubChem CID 123514079) has the molecular formula C109H138N40O4S5 and a molecular weight of 2232.91 g/mol. Its IUPAC name is 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

• Compound Name: 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol
• PubChem CID: 123514079
• Molecular Formula: C109H138N40O4S5
• Molecular Weight: 2232.91 g/mol
• Exact Mass: 2231.04
• IUPAC Name: 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol
• SMILES: CC[C@@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.COC[C@@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.COC[C@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.COC[C@]1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC[C@@]3(C)CO)ns2)n1
• InChI: InChI=1S/3C22H28N8OS.C22H28N8S.C21H26N8OS/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3;2*1-15-12-30-18(16-9-24-25-10-16)11-23-21(30)20(26-15)27-19-8-17(28-32-19)13-29-7-5-4-6-22(29,2)14-31-3;1-4-22(3)7-5-6-8-29(22)14-17-9-19(31-28-17)27-20-21-23-12-18(16-10-24-25-11-16)30(21)13-15(2)26-20;1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-6-4-3-5-21(28,2)13-30/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27);2*8-12H,4-7,13-14H2,1-3H3,(H,24,25)(H,26,27);9-13H,4-8,14H2,1-3H3,(H,24,25)(H,26,27);7-11,30H,3-6,12-13H2,1-2H3,(H,23,24)(H,25,26)/t4*22-;21-/m11000/s1
• InChIKey: UUJTXIJGWUILTN-TWNNBSFJSA-N
• XLogP: 20.06
• TPSA: 483.07 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 33
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.91
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

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

The IUPAC name of 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol (CID 123514079) is 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol.

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

The canonical SMILES for 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol is CC[C@@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.COC[C@@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.COC[C@]1(C)CCCCN1Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.COC[C@]1(C)CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC[C@@]3(C)CO)ns2)n1.

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

The InChIKey is UUJTXIJGWUILTN-TWNNBSFJSA-N. The full InChI is InChI=1S/3C22H28N8OS.C22H28N8S.C21H26N8OS/c1-15-11-30-18(16-8-24-25-9-16)10-23-21(30)20(26-15)27-19-7-17(28-32-19)12-29-6-4-5-22(2,13-29)14-31-3;2*1-15-12-30-18(16-9-24-25-10-16)11-23-21(30)20(26-15)27-19-8-17(28-32-19)13-29-7-5-4-6-22(29,2)14-31-3;1-4-22(3)7-5-6-8-29(22)14-17-9-19(31-28-17)27-20-21-23-12-18(16-10-24-25-11-16)30(21)13-15(2)26-20;1-14-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-14)26-18-7-16(27-31-18)12-28-6-4-3-5-21(28,2)13-30/h7-11H,4-6,12-14H2,1-3H3,(H,24,25)(H,26,27);2*8-12H,4-7,13-14H2,1-3H3,(H,24,25)(H,26,27);9-13H,4-8,14H2,1-3H3,(H,24,25)(H,26,27);7-11,30H,3-6,12-13H2,1-2H3,(H,23,24)(H,25,26)/t4*22-;21-/m11000/s1.

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

3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 2232.91 g/mol, XLogP of 20.06, 33 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2S)-2-ethyl-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2R)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(2S)-2-(methoxymethyl)-2-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[(3R)-3-(methoxymethyl)-3-methylpiperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[(2S)-2-methyl-1-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 123514079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).