2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

C27H24ClN7O2 — CID 78322626

IUPAC2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCc1c2c(cn1C)-n1c(C)nnc1[C@H](CC(=O)Nc1ccc3c(c1)CC(=O)N3)N=C2c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClN7O2/c1-14-25-22(13-34(14)3)35-15(2)32-33-27(35)21(31-26(25)16-4-6-18(28)7-5-16)12-24(37)29-19-8-9-20-17(10-19)11-23(36)30-20/h4-10,13,21H,11-12H2,1-3H3,(H,29,37)(H,30,36)/t21-/m0/s1
InChIKeyZBYVYOTUJGFMLI-NRFANRHFSA-N
MW513.99 g/mol
LogP4.29
Rot. Bonds4

About 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (PubChem CID 78322626) has the molecular formula C27H24ClN7O2 and a molecular weight of 513.99 g/mol. Its IUPAC name is 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
PubChem CID78322626
Molecular FormulaC27H24ClN7O2
Molecular Weight513.99 g/mol
Exact Mass513.17
IUPAC Name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCc1c2c(cn1C)-n1c(C)nnc1[C@H](CC(=O)Nc1ccc3c(c1)CC(=O)N3)N=C2c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClN7O2/c1-14-25-22(13-34(14)3)35-15(2)32-33-27(35)21(31-26(25)16-4-6-18(28)7-5-16)12-24(37)29-19-8-9-20-17(10-19)11-23(36)30-20/h4-10,13,21H,11-12H2,1-3H3,(H,29,37)(H,30,36)/t21-/m0/s1
InChIKeyZBYVYOTUJGFMLI-NRFANRHFSA-N
XLogP4.29
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.99
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide 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

8-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 90358349
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 78322856
tert-butyl 4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]acetyl]piperazine-1-carboxylate
CID 78323251
N-[4-[2-[2-[2-[2-[[2-amino-5-(2-oxo-1,3-dihydroindol-5-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
CID 166559621
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78322317
N-[2-[2-[4-[[2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]ethoxy]ethyl]-3-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 166559616
N-[2-[2-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]ethoxy]ethyl]-3-(2-oxo-1,3-dihydroindol-5-yl)benzamide;sulfane
CID 158884818
2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]amino]ethoxy]ethoxy]phenyl]acetamide
CID 167278526
2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 78323252
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide;sulfane
CID 157353535
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(3-oxo-1H-2-benzothiophen-5-yl)acetamide
CID 155017090
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-methylphenyl)acetamide
CID 154688520

Frequently Asked Questions

What is the IUPAC name of 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The IUPAC name of 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide (CID 78322626) is 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide.
What is the SMILES notation for 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The canonical SMILES for 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is Cc1c2c(cn1C)-n1c(C)nnc1[C@H](CC(=O)Nc1ccc3c(c1)CC(=O)N3)N=C2c1ccc(Cl)cc1.
What is the InChIKey of 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
The InChIKey is ZBYVYOTUJGFMLI-NRFANRHFSA-N. The full InChI is InChI=1S/C27H24ClN7O2/c1-14-25-22(13-34(14)3)35-15(2)32-33-27(35)21(31-26(25)16-4-6-18(28)7-5-16)12-24(37)29-19-8-9-20-17(10-19)11-23(36)30-20/h4-10,13,21H,11-12H2,1-3H3,(H,29,37)(H,30,36)/t21-/m0/s1.
What are the key properties of 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide?
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide has a molecular weight of 513.99 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide is sourced from PubChem (CID 78322626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).