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

C25H28N4O2 — CID 57393390

IUPAC(6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)[nH]c2c1
InChIInChI=1S/C25H28N4O2/c1-31-19-7-6-17-12-22(27-21(17)13-19)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-/m0/s1
InChIKeyDKUGOQDRNOECQX-LYIYLXCWSA-N
MW416.53 g/mol
LogP3.14
Rot. Bonds3

About (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (PubChem CID 57393390) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
PubChem CID57393390
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)[nH]c2c1
InChIInChI=1S/C25H28N4O2/c1-31-19-7-6-17-12-22(27-21(17)13-19)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-/m0/s1
InChIKeyDKUGOQDRNOECQX-LYIYLXCWSA-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

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (CID 57393390) is (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is COc1ccc2cc(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The InChIKey is DKUGOQDRNOECQX-LYIYLXCWSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-19-7-6-17-12-22(27-21(17)13-19)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-/m0/s1.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[(3S)-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 (6-methoxy-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is sourced from PubChem (CID 57393390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).