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

C25H28N4O — CID 57398636

IUPAC(5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1
InChIInChI=1S/C25H28N4O/c1-17-6-7-21-18(12-17)13-22(27-21)24(30)29-16-25(20-4-2-3-5-23(20)29)9-11-28(15-25)19-8-10-26-14-19/h2-7,12-13,19,26-27H,8-11,14-16H2,1H3/t19?,25-/m0/s1
InChIKeyJBIWAICPWJEDQW-BIAFCPFJSA-N
MW400.53 g/mol
LogP3.44
Rot. Bonds2

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

(5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (PubChem CID 57398636) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
PubChem CID57398636
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1
InChIInChI=1S/C25H28N4O/c1-17-6-7-21-18(12-17)13-22(27-21)24(30)29-16-25(20-4-2-3-5-23(20)29)9-11-28(15-25)19-8-10-26-14-19/h2-7,12-13,19,26-27H,8-11,14-16H2,1H3/t19?,25-/m0/s1
InChIKeyJBIWAICPWJEDQW-BIAFCPFJSA-N
XLogP3.44
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The IUPAC name of (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (CID 57398636) is (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3C[C@@]4(CCN(C5CCNC5)C4)c4ccccc43)cc2c1.
What is the InChIKey of (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The InChIKey is JBIWAICPWJEDQW-BIAFCPFJSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-6-7-21-18(12-17)13-22(27-21)24(30)29-16-25(20-4-2-3-5-23(20)29)9-11-28(15-25)19-8-10-26-14-19/h2-7,12-13,19,26-27H,8-11,14-16H2,1H3/t19?,25-/m0/s1.
What are the key properties of (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
(5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone has a molecular weight of 400.53 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is sourced from PubChem (CID 57398636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).