ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C41H48N14O2S3 — CID 143756044

About ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 143756044) has the molecular formula C41H48N14O2S3 and a molecular weight of 865.13 g/mol. Its IUPAC name is ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 143756044
• Molecular Formula: C41H48N14O2S3
• Molecular Weight: 865.13 g/mol
• Exact Mass: 864.32
• IUPAC Name: ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• SMILES: CC.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCC(C)C3)s2)n1.OCc1cc(Nc2nccn3c(-c4nccs4)cnc23)sn1
• InChI: InChI=1S/C26H32N8OS.C13H10N6OS2.C2H6/c1-17-6-5-9-33(14-17)26(35)23-19(16-32-7-3-4-8-32)10-22(36-23)31-24-25-27-13-21(20-11-28-29-12-20)34(25)15-18(2)30-24;20-7-8-5-10(22-18-8)17-11-12-16-6-9(13-15-2-4-21-13)19(12)3-1-14-11;1-2/h10-13,15,17H,3-9,14,16H2,1-2H3,(H,28,29)(H,30,31);1-6,20H,7H2,(H,14,17);1-2H3
• InChIKey: SVSGAXWVYYCPBX-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 182.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.13
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 143756044) is ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

What is the SMILES notation for ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The canonical SMILES for ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is CC.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCC(C)C3)s2)n1.OCc1cc(Nc2nccn3c(-c4nccs4)cnc23)sn1.

What is the InChIKey of ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The InChIKey is SVSGAXWVYYCPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8OS.C13H10N6OS2.C2H6/c1-17-6-5-9-33(14-17)26(35)23-19(16-32-7-3-4-8-32)10-22(36-23)31-24-25-27-13-21(20-11-28-29-12-20)34(25)15-18(2)30-24;20-7-8-5-10(22-18-8)17-11-12-16-6-9(13-15-2-4-21-13)19(12)3-1-14-11;1-2/h10-13,15,17H,3-9,14,16H2,1-2H3,(H,28,29)(H,30,31);1-6,20H,7H2,(H,14,17);1-2H3.

What are the key properties of ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 865.13 g/mol, XLogP of 8.27, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(3-methylpiperidin-1-yl)-[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanone;[5-[[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 143756044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).