1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one

C29H34N4O2S — CID 161286561

IUPAC1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one
SMILESO=C(CC1CCC(CCN2CCc3sc(N4CCCC4=O)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C29H34N4O2S/c34-26(23-4-1-6-24-22(23)5-2-14-30-24)18-21-10-8-20(9-11-21)12-16-32-17-13-27-25(19-32)31-29(36-27)33-15-3-7-28(33)35/h1-2,4-6,14,20-21H,3,7-13,15-19H2
InChIKeyVFUIVYAWDDVEKT-UHFFFAOYSA-N
MW502.68 g/mol
LogP5.65
Rot. Bonds7

About 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one

1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one (PubChem CID 161286561) has the molecular formula C29H34N4O2S and a molecular weight of 502.68 g/mol. Its IUPAC name is 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one
PubChem CID161286561
Molecular FormulaC29H34N4O2S
Molecular Weight502.68 g/mol
Exact Mass502.24
IUPAC Name1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one
SMILESO=C(CC1CCC(CCN2CCc3sc(N4CCCC4=O)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C29H34N4O2S/c34-26(23-4-1-6-24-22(23)5-2-14-30-24)18-21-10-8-20(9-11-21)12-16-32-17-13-27-25(19-32)31-29(36-27)33-15-3-7-28(33)35/h1-2,4-6,14,20-21H,3,7-13,15-19H2
InChIKeyVFUIVYAWDDVEKT-UHFFFAOYSA-N
XLogP5.65
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

2-[4-[2-[2-(1,3-difluoropropan-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 157101321
2-[4-[2-(2-chloro-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 161389833
N-[4-[2-[2-(4-methylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671002
N-[4-[2-(2-methoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671303
N-[[4-[2-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]methylidene]quinoline-5-carboxamide
CID 145451751
N-[4-[2-[2-(3-fluoroprop-1-en-2-yloxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671130
2-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 162073530
N-[4-[2-[2-[2-(trifluoromethoxy)ethoxy]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671252
2-[4-[2-[2-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 158049524
2-[4-[2-[2-(2-cyclopropyl-1,1-difluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone
CID 147878710
2-[4-[2-[(3aS,7aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone
CID 157447250
2-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-(3-methyl-2H-indazol-7-yl)ethanone
CID 159049893

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one (CID 161286561) is 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one is O=C(CC1CCC(CCN2CCc3sc(N4CCCC4=O)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one?
The InChIKey is VFUIVYAWDDVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2S/c34-26(23-4-1-6-24-22(23)5-2-14-30-24)18-21-10-8-20(9-11-21)12-16-32-17-13-27-25(19-32)31-29(36-27)33-15-3-7-28(33)35/h1-2,4-6,14,20-21H,3,7-13,15-19H2.
What are the key properties of 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one?
1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one has a molecular weight of 502.68 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 161286561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).