2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride

C20H22ClN7OS2 — CID 162492668

IUPAC2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
SMILESCN1CCC2(CC1)CN(c1nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s1)C2.Cl
InChIInChI=1S/C20H21N7OS2.ClH/c1-26-4-2-20(3-5-26)10-27(11-20)19-25-18-17(30-19)24-16(29-18)15-14(28)6-12(7-21-15)13-8-22-23-9-13;/h6-9,28H,2-5,10-11H2,1H3,(H,22,23);1H
InChIKeyGLZXNTVJEPNRQS-UHFFFAOYSA-N
MW476.03 g/mol
LogP3.86
Rot. Bonds3

About 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride

2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride (PubChem CID 162492668) has the molecular formula C20H22ClN7OS2 and a molecular weight of 476.03 g/mol. Its IUPAC name is 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
PubChem CID162492668
Molecular FormulaC20H22ClN7OS2
Molecular Weight476.03 g/mol
Exact Mass475.10
IUPAC Name2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride
SMILESCN1CCC2(CC1)CN(c1nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s1)C2.Cl
InChIInChI=1S/C20H21N7OS2.ClH/c1-26-4-2-20(3-5-26)10-27(11-20)19-25-18-17(30-19)24-16(29-18)15-14(28)6-12(7-21-15)13-8-22-23-9-13;/h6-9,28H,2-5,10-11H2,1H3,(H,22,23);1H
InChIKeyGLZXNTVJEPNRQS-UHFFFAOYSA-N
XLogP3.86
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.03
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[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-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride (CID 162492668) is 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[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-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[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-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride is CN1CCC2(CC1)CN(c1nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s1)C2.Cl.
What is the InChIKey of 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride?
The InChIKey is GLZXNTVJEPNRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS2.ClH/c1-26-4-2-20(3-5-26)10-27(11-20)19-25-18-17(30-19)24-16(29-18)15-14(28)6-12(7-21-15)13-8-22-23-9-13;/h6-9,28H,2-5,10-11H2,1H3,(H,22,23);1H.
What are the key properties of 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;hydrochloride?
2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[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 476.03 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[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 162492668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).