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

C24H25ClN4O — CID 57403900

IUPAC(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21
InChIInChI=1S/C24H25ClN4O/c25-17-5-6-20-16(11-17)12-21(27-20)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m0/s1
InChIKeySGBSKNKMLNQHSJ-LUTIACGYSA-N
MW420.94 g/mol
LogP3.79
Rot. Bonds2

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

(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (PubChem CID 57403900) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
PubChem CID57403900
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21
InChIInChI=1S/C24H25ClN4O/c25-17-5-6-20-16(11-17)12-21(27-20)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m0/s1
InChIKeySGBSKNKMLNQHSJ-LUTIACGYSA-N
XLogP3.79
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (CID 57403900) is (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The InChIKey is SGBSKNKMLNQHSJ-LUTIACGYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c25-17-5-6-20-16(11-17)12-21(27-20)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m0/s1.
What are the key properties of (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone has a molecular weight of 420.94 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is sourced from PubChem (CID 57403900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).