(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

C25H28N4O2 — CID 57398637

IUPAC(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1
InChIInChI=1S/C25H28N4O2/c1-31-19-6-7-21-17(12-19)13-22(27-21)24(30)29-16-25(20-4-2-3-5-23(20)29)9-11-28(15-25)18-8-10-26-14-18/h2-7,12-13,18,26-27H,8-11,14-16H2,1H3/t18?,25-/m1/s1
InChIKeyHNKRVXMUKQBPJW-IXXGTQFESA-N
MW416.53 g/mol
LogP3.14
Rot. Bonds3

About (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (PubChem CID 57398637) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
PubChem CID57398637
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1
InChIInChI=1S/C25H28N4O2/c1-31-19-6-7-21-17(12-19)13-22(27-21)24(30)29-16-25(20-4-2-3-5-23(20)29)9-11-28(15-25)18-8-10-26-14-18/h2-7,12-13,18,26-27H,8-11,14-16H2,1H3/t18?,25-/m1/s1
InChIKeyHNKRVXMUKQBPJW-IXXGTQFESA-N
XLogP3.14
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone 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 (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (CID 57398637) is (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3C[C@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The InChIKey is HNKRVXMUKQBPJW-IXXGTQFESA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-19-6-7-21-17(12-19)13-22(27-21)24(30)29-16-25(20-4-2-3-5-23(20)29)9-11-28(15-25)18-8-10-26-14-18/h2-7,12-13,18,26-27H,8-11,14-16H2,1H3/t18?,25-/m1/s1.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[(3R)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is sourced from PubChem (CID 57398637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).