1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone

C21H25N5O2S — CID 140643344

IUPAC1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1ccc2nc(Nc3ncccc3C3CCN(C(=O)COC)CC3)sc2n1
InChIInChI=1S/C21H25N5O2S/c1-3-15-6-7-17-20(23-15)29-21(24-17)25-19-16(5-4-10-22-19)14-8-11-26(12-9-14)18(27)13-28-2/h4-7,10,14H,3,8-9,11-13H2,1-2H3,(H,22,24,25)
InChIKeyDDFXJRXQWQYZJJ-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 140643344) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID140643344
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1ccc2nc(Nc3ncccc3C3CCN(C(=O)COC)CC3)sc2n1
InChIInChI=1S/C21H25N5O2S/c1-3-15-6-7-17-20(23-15)29-21(24-17)25-19-16(5-4-10-22-19)14-8-11-26(12-9-14)18(27)13-28-2/h4-7,10,14H,3,8-9,11-13H2,1-2H3,(H,22,24,25)
InChIKeyDDFXJRXQWQYZJJ-UHFFFAOYSA-N
XLogP3.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
2-methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54759926
2-methoxy-1-[4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 68710758
2-methoxy-1-[3-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 90121815
1-[4-(2,3-dihydro-1-benzothiophen-3-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 81338934
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-1H-pyrido[2,3-d]pyrimidin-2-one
CID 123860239
5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816338
3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
CID 175657740
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 95828285
1-[4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 46955549
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone (CID 140643344) is 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone is CCc1ccc2nc(Nc3ncccc3C3CCN(C(=O)COC)CC3)sc2n1.
What is the InChIKey of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is DDFXJRXQWQYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-15-6-7-17-20(23-15)29-21(24-17)25-19-16(5-4-10-22-19)14-8-11-26(12-9-14)18(27)13-28-2/h4-7,10,14H,3,8-9,11-13H2,1-2H3,(H,22,24,25).
What are the key properties of 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 411.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-ethyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-3-pyridinyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 140643344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).