2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one

C29H21N5O — CID 86761317

IUPAC2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
SMILESO=C1Cc2cn(Cc3ccc4cc5c(cc4n3)C[C@@]3(C=Nc4ncccc43)C5)c3cccc(c23)N1
InChIInChI=1S/C29H21N5O/c35-26-11-20-14-34(25-5-1-4-23(33-26)27(20)25)15-21-7-6-17-9-18-12-29(13-19(18)10-24(17)32-21)16-31-28-22(29)3-2-8-30-28/h1-10,14,16H,11-13,15H2,(H,33,35)/t29-/m1/s1
InChIKeyWHAMIOJGBGGBBQ-GDLZYMKVSA-N
MW455.52 g/mol
LogP4.88
Rot. Bonds2

About 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one

2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one (PubChem CID 86761317) has the molecular formula C29H21N5O and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one.

Molecular Properties

Compound Name2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
PubChem CID86761317
Molecular FormulaC29H21N5O
Molecular Weight455.52 g/mol
Exact Mass455.17
IUPAC Name2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one
SMILESO=C1Cc2cn(Cc3ccc4cc5c(cc4n3)C[C@@]3(C=Nc4ncccc43)C5)c3cccc(c23)N1
InChIInChI=1S/C29H21N5O/c35-26-11-20-14-34(25-5-1-4-23(33-26)27(20)25)15-21-7-6-17-9-18-12-29(13-19(18)10-24(17)32-21)16-31-28-22(29)3-2-8-30-28/h1-10,14,16H,11-13,15H2,(H,33,35)/t29-/m1/s1
InChIKeyWHAMIOJGBGGBBQ-GDLZYMKVSA-N
XLogP4.88
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)methyl]spiro[1,4,6,8-tetrahydrocyclopenta[g]quinoline-7,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 67173850
7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione
CID 23581952
(7S)-1'-methyl-2-[(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
CID 46885186
1'-methyl-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
CID 16743232
2'-[4-(4-hydroxyphenyl)butyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 59594343
2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 16736806
(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde
CID 58044829
3,8,15,17,19-pentazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13(18)-hexaene-9,14,16-trione
CID 45379342
1'-methyl-2-propylspiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
CID 70645518
2'-tert-butylspiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 58026269
2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 16736208
2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolidine]-2',5'-dione
CID 86766523

Frequently Asked Questions

What is the IUPAC name of 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
The IUPAC name of 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one (CID 86761317) is 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one.
What is the SMILES notation for 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
The canonical SMILES for 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one is O=C1Cc2cn(Cc3ccc4cc5c(cc4n3)C[C@@]3(C=Nc4ncccc43)C5)c3cccc(c23)N1.
What is the InChIKey of 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
The InChIKey is WHAMIOJGBGGBBQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H21N5O/c35-26-11-20-14-34(25-5-1-4-23(33-26)27(20)25)15-21-7-6-17-9-18-12-29(13-19(18)10-24(17)32-21)16-31-28-22(29)3-2-8-30-28/h1-10,14,16H,11-13,15H2,(H,33,35)/t29-/m1/s1.
What are the key properties of 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one?
2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one has a molecular weight of 455.52 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S)-spiro[6,8-dihydrocyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl]methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-one is sourced from PubChem (CID 86761317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).