[3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

C28H32N4O — CID 77421397

IUPAC[3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)C3)[nH]c2c1
InChIInChI=1S/C28H32N4O/c1-19-6-7-22-15-27(30-26(22)14-19)28(33)32-13-8-20(18-32)17-31-11-9-21(10-12-31)24-16-29-25-5-3-2-4-23(24)25/h2-7,14-16,20-21,29-30H,8-13,17-18H2,1H3
InChIKeyGGKTWQIGIRYPMG-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.30
Rot. Bonds4

About [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

[3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 77421397) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
PubChem CID77421397
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name[3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)C3)[nH]c2c1
InChIInChI=1S/C28H32N4O/c1-19-6-7-22-15-27(30-26(22)14-19)28(33)32-13-8-20(18-32)17-31-11-9-21(10-12-31)24-16-29-25-5-3-2-4-23(24)25/h2-7,14-16,20-21,29-30H,8-13,17-18H2,1H3
InChIKeyGGKTWQIGIRYPMG-UHFFFAOYSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-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

Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
(6-hydroxy-1H-indol-2-yl)-[2-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]azepan-1-yl]methanone
CID 123582249
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 77421397) is [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)C3)[nH]c2c1.
What is the InChIKey of [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is GGKTWQIGIRYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-19-6-7-22-15-27(30-26(22)14-19)28(33)32-13-8-20(18-32)17-31-11-9-21(10-12-31)24-16-29-25-5-3-2-4-23(24)25/h2-7,14-16,20-21,29-30H,8-13,17-18H2,1H3.
What are the key properties of [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
[3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 440.59 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 77421397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).