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

C21H26FN3O2 — CID 134701040

IUPACN-[(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
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1
InChIInChI=1S/C21H26FN3O2/c1-12-17(18-9-15(22)4-5-19(18)23-12)10-21(27)25(3)16-6-13-8-20(26)24(2)11-14(13)7-16/h4-5,9,13-14,16,23H,6-8,10-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKeyPVJACLJFTZWKSC-IJEWVQPXSA-N
MW371.46 g/mol
LogP2.87
Rot. Bonds3

About 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

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 (PubChem CID 134701040) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID134701040
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[(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
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1
InChIInChI=1S/C21H26FN3O2/c1-12-17(18-9-15(22)4-5-19(18)23-12)10-21(27)25(3)16-6-13-8-20(26)24(2)11-14(13)7-16/h4-5,9,13-14,16,23H,6-8,10-11H2,1-3H3/t13-,14+,16-/m1/s1
InChIKeyPVJACLJFTZWKSC-IJEWVQPXSA-N
XLogP2.87
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1.
What is the InChIKey of 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?
The InChIKey is PVJACLJFTZWKSC-IJEWVQPXSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-12-17(18-9-15(22)4-5-19(18)23-12)10-21(27)25(3)16-6-13-8-20(26)24(2)11-14(13)7-16/h4-5,9,13-14,16,23H,6-8,10-11H2,1-3H3/t13-,14+,16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 371.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134701040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).