4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide

C24H27N3O — CID 176842068

IUPAC4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1C2CCC(C2)[C@H]1c1ccc(C(N)=O)cc1
InChIInChI=1S/C24H27N3O/c1-14-11-15(2)22-20(9-10-26-22)21(14)13-27-19-8-7-18(12-19)23(27)16-3-5-17(6-4-16)24(25)28/h3-6,9-11,18-19,23,26H,7-8,12-13H2,1-2H3,(H2,25,28)/t18?,19?,23-/m1/s1
InChIKeyBMFVLLXQZWXMJZ-MTNXOHHFSA-N
MW373.50 g/mol
LogP4.61
Rot. Bonds4

About 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide

4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide (PubChem CID 176842068) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide.

Molecular Properties

Compound Name4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide
PubChem CID176842068
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide
SMILESCc1cc(C)c2[nH]ccc2c1CN1C2CCC(C2)[C@H]1c1ccc(C(N)=O)cc1
InChIInChI=1S/C24H27N3O/c1-14-11-15(2)22-20(9-10-26-22)21(14)13-27-19-8-7-18(12-19)23(27)16-3-5-17(6-4-16)24(25)28/h3-6,9-11,18-19,23,26H,7-8,12-13H2,1-2H3,(H2,25,28)/t18?,19?,23-/m1/s1
InChIKeyBMFVLLXQZWXMJZ-MTNXOHHFSA-N
XLogP4.61
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide 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 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide?
The IUPAC name of 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide (CID 176842068) is 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide.
What is the SMILES notation for 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide?
The canonical SMILES for 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide is Cc1cc(C)c2[nH]ccc2c1CN1C2CCC(C2)[C@H]1c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide?
The InChIKey is BMFVLLXQZWXMJZ-MTNXOHHFSA-N. The full InChI is InChI=1S/C24H27N3O/c1-14-11-15(2)22-20(9-10-26-22)21(14)13-27-19-8-7-18(12-19)23(27)16-3-5-17(6-4-16)24(25)28/h3-6,9-11,18-19,23,26H,7-8,12-13H2,1-2H3,(H2,25,28)/t18?,19?,23-/m1/s1.
What are the key properties of 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide?
4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide is sourced from PubChem (CID 176842068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).