5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol

C24H31N7OS2 — CID 162492600

IUPAC5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
SMILESCCn1cc(-c2cnc(-c3nc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4s3)c(O)c2)cn1
InChIInChI=1S/C24H31N7OS2/c1-7-31-13-15(12-26-31)14-8-17(32)18(25-11-14)19-27-20-21(33-19)28-22(34-20)30(6)16-9-23(2,3)29-24(4,5)10-16/h8,11-13,16,29,32H,7,9-10H2,1-6H3
InChIKeyLYBLBGXFNNBCPI-UHFFFAOYSA-N
MW497.69 g/mol
LogP5.15
Rot. Bonds5

About 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol

5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol (PubChem CID 162492600) has the molecular formula C24H31N7OS2 and a molecular weight of 497.69 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
PubChem CID162492600
Molecular FormulaC24H31N7OS2
Molecular Weight497.69 g/mol
Exact Mass497.20
IUPAC Name5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
SMILESCCn1cc(-c2cnc(-c3nc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4s3)c(O)c2)cn1
InChIInChI=1S/C24H31N7OS2/c1-7-31-13-15(12-26-31)14-8-17(32)18(25-11-14)19-27-20-21(33-19)28-22(34-20)30(6)16-9-23(2,3)29-24(4,5)10-16/h8,11-13,16,29,32H,7,9-10H2,1-6H3
InChIKeyLYBLBGXFNNBCPI-UHFFFAOYSA-N
XLogP5.15
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.69
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol (CID 162492600) is 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol is CCn1cc(-c2cnc(-c3nc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4s3)c(O)c2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?
The InChIKey is LYBLBGXFNNBCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS2/c1-7-31-13-15(12-26-31)14-8-17(32)18(25-11-14)19-27-20-21(33-19)28-22(34-20)30(6)16-9-23(2,3)29-24(4,5)10-16/h8,11-13,16,29,32H,7,9-10H2,1-6H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?
5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol has a molecular weight of 497.69 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 162492600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).