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

C19H22ClN7OS2 — CID 162492820

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

2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride (PubChem CID 162492820) has the molecular formula C19H22ClN7OS2 and a molecular weight of 464.02 g/mol. Its IUPAC name is 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride.

Molecular Properties

• Compound Name: 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
• PubChem CID: 162492820
• Molecular Formula: C19H22ClN7OS2
• Molecular Weight: 464.02 g/mol
• Exact Mass: 463.10
• IUPAC Name: 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
• SMILES: CN1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s2)CC1.Cl
• InChI: InChI=1S/C19H21N7OS2.ClH/c1-25-5-3-13(4-6-25)26(2)19-24-18-17(29-19)23-16(28-18)15-14(27)7-11(8-20-15)12-9-21-22-10-12;/h7-10,13,27H,3-6H2,1-2H3,(H,21,22);1H
• InChIKey: WJVHRENABSKXFS-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 94.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.02
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride (CID 162492820) is 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride.

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

The canonical SMILES for 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride is CN1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s2)CC1.Cl.

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

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

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

2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride has a molecular weight of 464.02 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 162492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).