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

C21H25N7OS2 — CID 162492684

IUPAC2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCCCN1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s2)CC1
InChIInChI=1S/C21H25N7OS2/c1-3-6-28-7-4-15(5-8-28)27(2)21-26-20-19(31-21)25-18(30-20)17-16(29)9-13(10-22-17)14-11-23-24-12-14/h9-12,15,29H,3-8H2,1-2H3,(H,23,24)
InChIKeyAURQLPXRXXVPIA-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.22
Rot. Bonds6

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

2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 162492684) has the molecular formula C21H25N7OS2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
PubChem CID162492684
Molecular FormulaC21H25N7OS2
Molecular Weight455.61 g/mol
Exact Mass455.16
IUPAC Name2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCCCN1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s2)CC1
InChIInChI=1S/C21H25N7OS2/c1-3-6-28-7-4-15(5-8-28)27(2)21-26-20-19(31-21)25-18(30-20)17-16(29)9-13(10-22-17)14-11-23-24-12-14/h9-12,15,29H,3-8H2,1-2H3,(H,23,24)
InChIKeyAURQLPXRXXVPIA-UHFFFAOYSA-N
XLogP4.22
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (CID 162492684) is 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is CCCN1CCC(N(C)c2nc3sc(-c4ncc(-c5cn[nH]c5)cc4O)nc3s2)CC1.
What is the InChIKey of 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The InChIKey is AURQLPXRXXVPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7OS2/c1-3-6-28-7-4-15(5-8-28)27(2)21-26-20-19(31-21)25-18(30-20)17-16(29)9-13(10-22-17)14-11-23-24-12-14/h9-12,15,29H,3-8H2,1-2H3,(H,23,24).
What are the key properties of 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 455.61 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 162492684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).