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

C23H26N8O2S — CID 87945595

IUPAC2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@@H]1C
InChIInChI=1S/C23H26N8O2S/c1-14-12-30(8-9-31(14)21(32)13-33-3)16-6-7-24-20(10-16)28-23-27-19-5-4-18(26-22(19)34-23)17-11-25-29-15(17)2/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,29)(H,24,27,28)/t14-/m0/s1
InChIKeyRLGCVDIMCPMYCI-AWEZNQCLSA-N
MW478.58 g/mol
LogP3.21
Rot. Bonds6

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

2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 87945595) has the molecular formula C23H26N8O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID87945595
Molecular FormulaC23H26N8O2S
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC Name2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@@H]1C
InChIInChI=1S/C23H26N8O2S/c1-14-12-30(8-9-31(14)21(32)13-33-3)16-6-7-24-20(10-16)28-23-27-19-5-4-18(26-22(19)34-23)17-11-25-29-15(17)2/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,29)(H,24,27,28)/t14-/m0/s1
InChIKeyRLGCVDIMCPMYCI-AWEZNQCLSA-N
XLogP3.21
TPSA112.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-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-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-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-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (CID 87945595) is 2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-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-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-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-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)nc4s3)c2)C[C@@H]1C.
What is the InChIKey of 2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is RLGCVDIMCPMYCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26N8O2S/c1-14-12-30(8-9-31(14)21(32)13-33-3)16-6-7-24-20(10-16)28-23-27-19-5-4-18(26-22(19)34-23)17-11-25-29-15(17)2/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,29)(H,24,27,28)/t14-/m0/s1.
What are the key properties of 2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-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 478.58 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(2S)-2-methyl-4-[2-[[5-(5-methyl-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 87945595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).