[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol

C17H21N5OS — CID 72838851

IUPAC[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1nn(C)c2nc(N3CCC(C(O)c4ccccn4)CC3)sc12
InChIInChI=1S/C17H21N5OS/c1-11-15-16(21(2)20-11)19-17(24-15)22-9-6-12(7-10-22)14(23)13-5-3-4-8-18-13/h3-5,8,12,14,23H,6-7,9-10H2,1-2H3
InChIKeyUEDJWNDOVATQQU-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.68
Rot. Bonds3

About [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol

[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 72838851) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID72838851
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1nn(C)c2nc(N3CCC(C(O)c4ccccn4)CC3)sc12
InChIInChI=1S/C17H21N5OS/c1-11-15-16(21(2)20-11)19-17(24-15)22-9-6-12(7-10-22)14(23)13-5-3-4-8-18-13/h3-5,8,12,14,23H,6-7,9-10H2,1-2H3
InChIKeyUEDJWNDOVATQQU-UHFFFAOYSA-N
XLogP2.68
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol (CID 72838851) is [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol is Cc1nn(C)c2nc(N3CCC(C(O)c4ccccn4)CC3)sc12.
What is the InChIKey of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is UEDJWNDOVATQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-11-15-16(21(2)20-11)19-17(24-15)22-9-6-12(7-10-22)14(23)13-5-3-4-8-18-13/h3-5,8,12,14,23H,6-7,9-10H2,1-2H3.
What are the key properties of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 343.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 72838851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).