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

C22H24N8O2S — CID 87945636

IUPAC2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C22H24N8O2S/c1-32-14-20(31)30-8-6-29(7-9-30)13-15-4-5-23-19(10-15)28-22-27-18-3-2-17(26-21(18)33-22)16-11-24-25-12-16/h2-5,10-12H,6-9,13-14H2,1H3,(H,24,25)(H,23,27,28)
InChIKeyIUCMLXIGWGKVAC-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.51
Rot. Bonds7

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

2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone (PubChem CID 87945636) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
PubChem CID87945636
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC Name2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C22H24N8O2S/c1-32-14-20(31)30-8-6-29(7-9-30)13-15-4-5-23-19(10-15)28-22-27-18-3-2-17(26-21(18)33-22)16-11-24-25-12-16/h2-5,10-12H,6-9,13-14H2,1H3,(H,24,25)(H,23,27,28)
InChIKeyIUCMLXIGWGKVAC-UHFFFAOYSA-N
XLogP2.51
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone (CID 87945636) is 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is IUCMLXIGWGKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-32-14-20(31)30-8-6-29(7-9-30)13-15-4-5-23-19(10-15)28-22-27-18-3-2-17(26-21(18)33-22)16-11-24-25-12-16/h2-5,10-12H,6-9,13-14H2,1H3,(H,24,25)(H,23,27,28).
What are the key properties of 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 464.56 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 87945636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).