(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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C40H44N14O2S3 — CID 143756172

About (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

(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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 143756172) has the molecular formula C40H44N14O2S3 and a molecular weight of 849.09 g/mol. Its IUPAC name is (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 143756172
• Molecular Formula: C40H44N14O2S3
• Molecular Weight: 849.09 g/mol
• Exact Mass: 848.29
• IUPAC Name: (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• SMILES: Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCC(C)C3)s2)n1.Cc1cn2c(-c3nccs3)cnc2c(Nc2cc(CO)ns2)n1
• InChI: InChI=1S/C26H32N8OS.C14H12N6OS2/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;1-8-6-20-10(14-15-2-3-22-14)5-16-13(20)12(17-8)18-11-4-9(7-21)19-23-11/h10-13,15,17H,3-9,14,16H2,1-2H3,(H,28,29)(H,30,31);2-6,21H,7H2,1H3,(H,17,18)
• InChIKey: KRNQCDOSGZJBGI-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 182.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	849.09
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 143756172) is (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-[[6-methyl-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 (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The canonical SMILES for (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCCC3)c(C(=O)N3CCCC(C)C3)s2)n1.Cc1cn2c(-c3nccs3)cnc2c(Nc2cc(CO)ns2)n1.

What is the InChIKey of (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The InChIKey is KRNQCDOSGZJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8OS.C14H12N6OS2/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;1-8-6-20-10(14-15-2-3-22-14)5-16-13(20)12(17-8)18-11-4-9(7-21)19-23-11/h10-13,15,17H,3-9,14,16H2,1-2H3,(H,28,29)(H,30,31);2-6,21H,7H2,1H3,(H,17,18).

What are the key properties of (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-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

(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-[[6-methyl-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 849.09 g/mol, XLogP of 7.55, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (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-[[6-methyl-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 143756172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).