1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one

C34H46FN5O3 — CID 123684367

IUPAC1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one
SMILESCC1C2CC(c3c2c(O)n(C[C@@H]2CCCC[C@H]2CN2CCC(N4CCc5ccc(F)cc54)CC2)c3O)C1N1CCNC1=O
InChIInChI=1S/C34H46FN5O3/c1-20-26-17-27(31(20)39-15-11-36-34(39)43)30-29(26)32(41)40(33(30)42)19-23-5-3-2-4-22(23)18-37-12-9-25(10-13-37)38-14-8-21-6-7-24(35)16-28(21)38/h6-7,16,20,22-23,25-27,31,41-42H,2-5,8-15,17-19H2,1H3,(H,36,43)/t20?,22-,23-,26?,27?,31?/m0/s1
InChIKeyGZYKVMOWDWFLIT-NJOHAGITSA-N
MW591.77 g/mol
LogP4.99
Rot. Bonds6

About 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one

1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one (PubChem CID 123684367) has the molecular formula C34H46FN5O3 and a molecular weight of 591.77 g/mol. Its IUPAC name is 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one
PubChem CID123684367
Molecular FormulaC34H46FN5O3
Molecular Weight591.77 g/mol
Exact Mass591.36
IUPAC Name1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one
SMILESCC1C2CC(c3c2c(O)n(C[C@@H]2CCCC[C@H]2CN2CCC(N4CCc5ccc(F)cc54)CC2)c3O)C1N1CCNC1=O
InChIInChI=1S/C34H46FN5O3/c1-20-26-17-27(31(20)39-15-11-36-34(39)43)30-29(26)32(41)40(33(30)42)19-23-5-3-2-4-22(23)18-37-12-9-25(10-13-37)38-14-8-21-6-7-24(35)16-28(21)38/h6-7,16,20,22-23,25-27,31,41-42H,2-5,8-15,17-19H2,1H3,(H,36,43)/t20?,22-,23-,26?,27?,31?/m0/s1
InChIKeyGZYKVMOWDWFLIT-NJOHAGITSA-N
XLogP4.99
TPSA84.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.77
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one with MolForge

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Related Compounds

6-fluoro-1-(2-methylpiperidin-4-yl)-2,3-dihydroindole
CID 103496394
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
CID 103503437
4-[[(1S,2S)-2-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5,8-triol
CID 123736073
1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496
6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
4-[[(1S,2S)-2-[[4-(2H-indazol-3-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5,8,9-tetrol
CID 123622261
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one (CID 123684367) is 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one is CC1C2CC(c3c2c(O)n(C[C@@H]2CCCC[C@H]2CN2CCC(N4CCc5ccc(F)cc54)CC2)c3O)C1N1CCNC1=O.
What is the InChIKey of 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one?
The InChIKey is GZYKVMOWDWFLIT-NJOHAGITSA-N. The full InChI is InChI=1S/C34H46FN5O3/c1-20-26-17-27(31(20)39-15-11-36-34(39)43)30-29(26)32(41)40(33(30)42)19-23-5-3-2-4-22(23)18-37-12-9-25(10-13-37)38-14-8-21-6-7-24(35)16-28(21)38/h6-7,16,20,22-23,25-27,31,41-42H,2-5,8-15,17-19H2,1H3,(H,36,43)/t20?,22-,23-,26?,27?,31?/m0/s1.
What are the key properties of 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one?
1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one has a molecular weight of 591.77 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R,2R)-2-[[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-3,5-dihydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]imidazolidin-2-one is sourced from PubChem (CID 123684367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).