N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide

C20H24FN3O2 — CID 135099867

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C20H24FN3O2/c1-11-16(17-8-14(21)3-4-18(17)23-11)9-20(26)24(2)15-5-12-7-19(25)22-10-13(12)6-15/h3-4,8,12-13,15,23H,5-7,9-10H2,1-2H3,(H,22,25)/t12-,13+,15-/m1/s1
InChIKeyCMFSFXRUAFSTBF-VNHYZAJKSA-N
MW357.43 g/mol
LogP2.53
Rot. Bonds3

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide (PubChem CID 135099867) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
PubChem CID135099867
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C20H24FN3O2/c1-11-16(17-8-14(21)3-4-18(17)23-11)9-20(26)24(2)15-5-12-7-19(25)22-10-13(12)6-15/h3-4,8,12-13,15,23H,5-7,9-10H2,1-2H3,(H,22,25)/t12-,13+,15-/m1/s1
InChIKeyCMFSFXRUAFSTBF-VNHYZAJKSA-N
XLogP2.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide with MolForge

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Related Compounds

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 134701040
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 135090394
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
CID 163306021
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-fluoro-3-hydroxy-N-methylbenzamide
CID 135099417
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 135109820
N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 91953683
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 135106919
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
1-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 96513025
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 60550046
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
CID 113211908

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide (CID 135099867) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide?
The InChIKey is CMFSFXRUAFSTBF-VNHYZAJKSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-11-16(17-8-14(21)3-4-18(17)23-11)9-20(26)24(2)15-5-12-7-19(25)22-10-13(12)6-15/h3-4,8,12-13,15,23H,5-7,9-10H2,1-2H3,(H,22,25)/t12-,13+,15-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide has a molecular weight of 357.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 135099867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).