2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone

C20H20N8O2S — CID 87945612

IUPAC2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C20H20N8O2S/c29-12-18(30)28-7-5-27(6-8-28)14-3-4-21-17(9-14)26-20-25-16-2-1-15(24-19(16)31-20)13-10-22-23-11-13/h1-4,9-11,29H,5-8,12H2,(H,22,23)(H,21,25,26)
InChIKeyXVJQYUSLSDRLJT-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.86
Rot. Bonds5

About 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone

2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 87945612) has the molecular formula C20H20N8O2S and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID87945612
Molecular FormulaC20H20N8O2S
Molecular Weight436.50 g/mol
Exact Mass436.14
IUPAC Name2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C20H20N8O2S/c29-12-18(30)28-7-5-27(6-8-28)14-3-4-21-17(9-14)26-20-25-16-2-1-15(24-19(16)31-20)13-10-22-23-11-13/h1-4,9-11,29H,5-8,12H2,(H,22,23)(H,21,25,26)
InChIKeyXVJQYUSLSDRLJT-UHFFFAOYSA-N
XLogP1.86
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (CID 87945612) is 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is O=C(CO)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is XVJQYUSLSDRLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2S/c29-12-18(30)28-7-5-27(6-8-28)14-3-4-21-17(9-14)26-20-25-16-2-1-15(24-19(16)31-20)13-10-22-23-11-13/h1-4,9-11,29H,5-8,12H2,(H,22,23)(H,21,25,26).
What are the key properties of 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 436.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 87945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).