5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol

C56H60ClN21O3S6 — CID 163467376

About 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol

5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 163467376) has the molecular formula C56H60ClN21O3S6 and a molecular weight of 1303.09 g/mol. Its IUPAC name is 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

• Compound Name: 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol
• PubChem CID: 163467376
• Molecular Formula: C56H60ClN21O3S6
• Molecular Weight: 1303.09 g/mol
• Exact Mass: 1301.32
• IUPAC Name: 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol
• SMILES: CN(c1nc2sc(-c3ncc(-c4cn[nH]c4Cl)cc3O)nc2s1)C1CCNCC1.Cc1[nH]ncc1-c1cnc(-c2nc3sc(N(C)C4CCNCC4)nc3s2)c(O)c1.Cc1cn(-c2cnc(-c3nc4sc(N(C)C5CCNCC5)nc4s3)c(O)c2)cn1
• InChI: InChI=1S/2C19H21N7OS2.C18H18ClN7OS2/c1-11-9-26(10-22-11)13-7-14(27)15(21-8-13)16-23-17-18(28-16)24-19(29-17)25(2)12-3-5-20-6-4-12;1-10-13(9-22-25-10)11-7-14(27)15(21-8-11)16-23-17-18(28-16)24-19(29-17)26(2)12-3-5-20-6-4-12;1-26(10-2-4-20-5-3-10)18-24-17-16(29-18)23-15(28-17)13-12(27)6-9(7-21-13)11-8-22-25-14(11)19/h7-10,12,20,27H,3-6H2,1-2H3;7-9,12,20,27H,3-6H2,1-2H3,(H,22,25);6-8,10,20,27H,2-5H2,1H3,(H,22,25)
• InChIKey: BTTBKZHRZOEFIL-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 297.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1303.09
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol?

The IUPAC name of 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol (CID 163467376) is 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol.

What is the SMILES notation for 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol?

The canonical SMILES for 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol is CN(c1nc2sc(-c3ncc(-c4cn[nH]c4Cl)cc3O)nc2s1)C1CCNCC1.Cc1[nH]ncc1-c1cnc(-c2nc3sc(N(C)C4CCNCC4)nc3s2)c(O)c1.Cc1cn(-c2cnc(-c3nc4sc(N(C)C5CCNCC5)nc4s3)c(O)c2)cn1.

What is the InChIKey of 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol?

The InChIKey is BTTBKZHRZOEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N7OS2.C18H18ClN7OS2/c1-11-9-26(10-22-11)13-7-14(27)15(21-8-13)16-23-17-18(28-16)24-19(29-17)25(2)12-3-5-20-6-4-12;1-10-13(9-22-25-10)11-7-14(27)15(21-8-11)16-23-17-18(28-16)24-19(29-17)26(2)12-3-5-20-6-4-12;1-26(10-2-4-20-5-3-10)18-24-17-16(29-18)23-15(28-17)13-12(27)6-9(7-21-13)11-8-22-25-14(11)19/h7-10,12,20,27H,3-6H2,1-2H3;7-9,12,20,27H,3-6H2,1-2H3,(H,22,25);6-8,10,20,27H,2-5H2,1H3,(H,22,25).

What are the key properties of 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol?

5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 1303.09 g/mol, XLogP of 10.36, 12 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-1H-pyrazol-4-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;5-(4-methylimidazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol;2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 163467376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).