3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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

C82H98N32O2S4 — CID 159966604

About 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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

3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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 (PubChem CID 159966604) has the molecular formula C82H98N32O2S4 and a molecular weight of 1692.18 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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.

Molecular Properties

• Compound Name: 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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
• PubChem CID: 159966604
• Molecular Formula: C82H98N32O2S4
• Molecular Weight: 1692.18 g/mol
• Exact Mass: 1690.74
• IUPAC Name: 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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
• SMILES: CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)C.COCCN(C)Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3C4CCC3CC4)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCCC3)s2)n1
• InChI: InChI=1S/C25H30N8OS.C20H22N8S.C19H24N8S.C18H22N8OS/c1-17-15-33-20(19-12-27-28-13-19)14-26-24(33)23(29-17)30-21-11-18(16-31-7-5-6-8-31)22(35-21)25(34)32-9-3-2-4-10-32;1-12-10-28-17(13-7-22-23-8-13)9-21-20(28)19(24-12)25-18-6-14(26-29-18)11-27-15-2-3-16(27)5-4-15;1-5-26(12(2)3)11-15-6-17(28-25-15)24-18-19-20-9-16(14-7-21-22-8-14)27(19)10-13(4)23-18;1-12-10-26-15(13-7-20-21-8-13)9-19-18(26)17(22-12)23-16-6-14(24-28-16)11-25(2)4-5-27-3/h11-15H,2-10,16H2,1H3,(H,27,28)(H,29,30);6-10,15-16H,2-5,11H2,1H3,(H,22,23)(H,24,25);6-10,12H,5,11H2,1-4H3,(H,21,22)(H,23,24);6-10H,4-5,11H2,1-3H3,(H,20,21)(H,22,23)
• InChIKey: OEAAGHHKHMVMAA-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 364.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1692.18
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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?

The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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 159966604) is 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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.

What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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?

The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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 is CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)C.COCCN(C)Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3C4CCC3CC4)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCCC3)s2)n1.

What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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?

The InChIKey is OEAAGHHKHMVMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8OS.C20H22N8S.C19H24N8S.C18H22N8OS/c1-17-15-33-20(19-12-27-28-13-19)14-26-24(33)23(29-17)30-21-11-18(16-31-7-5-6-8-31)22(35-21)25(34)32-9-3-2-4-10-32;1-12-10-28-17(13-7-22-23-8-13)9-21-20(28)19(24-12)25-18-6-14(26-29-18)11-27-15-2-3-16(27)5-4-15;1-5-26(12(2)3)11-15-6-17(28-25-15)24-18-19-20-9-16(14-7-21-22-8-14)27(19)10-13(4)23-18;1-12-10-26-15(13-7-20-21-8-13)9-19-18(26)17(22-12)23-16-6-14(24-28-16)11-25(2)4-5-27-3/h11-15H,2-10,16H2,1H3,(H,27,28)(H,29,30);6-10,15-16H,2-5,11H2,1H3,(H,22,23)(H,24,25);6-10,12H,5,11H2,1-4H3,(H,21,22)(H,23,24);6-10H,4-5,11H2,1-3H3,(H,20,21)(H,22,23).

What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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?

3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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 has a molecular weight of 1692.18 g/mol, XLogP of 14.77, 26 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(propan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[2-methoxyethyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;[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 is sourced from PubChem (CID 159966604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).