1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one

C60H69N9O3S3 — CID 157253262

IUPAC1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3ccnc4c3CC=C4)C2)s1.CC(=O)Cc1ncc(CN2CCC[C@@H](c3ccnc4c3CC=C4)C2)s1.CC(=O)Cc1ncc(CN2CCC[C@H](c3ccnc4c3CC=C4)C2)s1
InChIInChI=1S/3C20H23N3OS/c3*1-14(24)10-20-22-11-16(25-20)13-23-9-3-4-15(12-23)17-7-8-21-19-6-2-5-18(17)19/h3*2,6-8,11,15H,3-5,9-10,12-13H2,1H3/t2*15-;/m10./s1
InChIKeyAWOTVWDJXDCRKH-UIPGKBEOSA-N
MW1060.47 g/mol
LogP10.86
Rot. Bonds15

About 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one

1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 157253262) has the molecular formula C60H69N9O3S3 and a molecular weight of 1060.47 g/mol. Its IUPAC name is 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID157253262
Molecular FormulaC60H69N9O3S3
Molecular Weight1060.47 g/mol
Exact Mass1059.47
IUPAC Name1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3ccnc4c3CC=C4)C2)s1.CC(=O)Cc1ncc(CN2CCC[C@@H](c3ccnc4c3CC=C4)C2)s1.CC(=O)Cc1ncc(CN2CCC[C@H](c3ccnc4c3CC=C4)C2)s1
InChIInChI=1S/3C20H23N3OS/c3*1-14(24)10-20-22-11-16(25-20)13-23-9-3-4-15(12-23)17-7-8-21-19-6-2-5-18(17)19/h3*2,6-8,11,15H,3-5,9-10,12-13H2,1H3/t2*15-;/m10./s1
InChIKeyAWOTVWDJXDCRKH-UIPGKBEOSA-N
XLogP10.86
TPSA138.27 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.47
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one with MolForge

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Related Compounds

5-[3,5-Bis[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazole
CID 57702857
2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole
CID 143423984
1-[5-[[3-(2-methyl-5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 149336461
4-cyclopentyl-5-methyl-2-[(2Z)-6-methylhepta-2,4,6-trien-3-yl]-3,4-dihydropyridine;3-deuterio-2-(2,4-dimethylbenzene-6-id-1-yl)-4-methyl-5-(trideuteriomethyl)pyridine;1-deuterio-1-(1,3,6-trideuteriohexa-1,3,5-trien-2-yl)cyclohexane;[(2Z)-2,3-dideuterio-1-(4-methyl-6H-[1]benzothiolo[2,3-b]pyridin-6-id-7-yl)-4-(trideuteriomethyl)penta-2,4-dienylidene]azanide;2,5-dideuterio-4-methyl-3-(trideuteriomethyl)-6-[2,3,5-trideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;bis(iridium);bis(iridium(3+));3-methyl-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;8-(3,4,5,6-tetradeuterio-2-pyridinyl)-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-(trideuteriomethyl)-3,4-dihydropyridine;3,4,6-trideuterio-5-(trideuteriomethyl)-3,4-dihydropyridine;[(2Z)-2,3,5-trideuterio-4-(trideuteriomethyl)-1-[2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl]penta-2,4-dienylidene]azanide
CID 157208423
1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 157253264
3-(propan-2-ylamino)-N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;3-(propan-2-ylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 157436016
bis(3-deuterio-N-[2-deuterio-1-[2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl]ethenyl]-2-(trideuteriomethyl)prop-2-en-1-imine);3,4-dideuteriopyridine;2-[1-[3,4-dideuterio-5-(trideuteriomethyl)-2-pyridinyl]ethenyl]-3-ethenyl-6-(trideuteriomethyl)-2,3-dihydrothieno[2,3-b]pyridine;8-[3,4-dideuterio-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium);iridium(3+);5-methyl-2-phenylpyridine;[3-methyl-1-phenyl-4-(trideuteriomethyl)pent-4-enylidene]azanide;4-methyl-5-(trideuteriomethyl)-2-[5-(trideuteriomethyl)hexa-1,5-dien-2-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;trideuteriomethane;2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)cyclohexa-1,3-dien-1-yl]pyridine
CID 157511594
5-[[3-(1,5-Dimethylpyrrolo[2,3-c]pyridin-7-yl)piperidin-1-yl]methyl]-2-(2-methylprop-2-enyl)-1,3-thiazole;1-[5-[[3-(1,5-dimethylpyrrolo[2,3-c]pyridin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 157870661
5-[Cyclopentyl-(6-phenyl-3-pyridinyl)methyl]-1,3-thiazole;5-[cyclopentyl(pyridin-3-yl)methyl]-2-phenylpyridine;5-[cyclopropyl-(6-phenyl-3-pyridinyl)methyl]-1,3-thiazole;5-[cyclopropyl(pyridin-3-yl)methyl]-2-phenylpyridine;2-phenyl-5-(1-pyridin-3-ylethyl)pyridine;2-phenyl-5-(1-pyridin-3-ylpropyl)pyridine;5-[1-(6-phenyl-3-pyridinyl)propyl]-1,3-thiazole
CID 157876471
5-[[3-(1,6-Dimethylpyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-2-(2-methylprop-2-enyl)-1,3-thiazole;1-[5-[[3-(1,6-dimethylpyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 157883986
N-[5-[[3-(5H-cyclopenta[c]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 157939627
1-[5-[[3-(3-methyl-7H-cyclopenta[c]pyridin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 157955316

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (CID 157253262) is 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1ncc(CN2CCCC(c3ccnc4c3CC=C4)C2)s1.CC(=O)Cc1ncc(CN2CCC[C@@H](c3ccnc4c3CC=C4)C2)s1.CC(=O)Cc1ncc(CN2CCC[C@H](c3ccnc4c3CC=C4)C2)s1.
What is the InChIKey of 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is AWOTVWDJXDCRKH-UIPGKBEOSA-N. The full InChI is InChI=1S/3C20H23N3OS/c3*1-14(24)10-20-22-11-16(25-20)13-23-9-3-4-15(12-23)17-7-8-21-19-6-2-5-18(17)19/h3*2,6-8,11,15H,3-5,9-10,12-13H2,1H3/t2*15-;/m10./s1.
What are the key properties of 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 1060.47 g/mol, XLogP of 10.86, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one;1-[5-[[3-(5H-cyclopenta[b]pyridin-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 157253262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).