[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone

C21H24N4O — CID 166268120

IUPAC[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone
SMILESCn1ccc2[nH]c(C(=O)N3CCN(C4Cc5ccccc5C4)CC3)cc21
InChIInChI=1S/C21H24N4O/c1-23-7-6-18-20(23)14-19(22-18)21(26)25-10-8-24(9-11-25)17-12-15-4-2-3-5-16(15)13-17/h2-7,14,17,22H,8-13H2,1H3
InChIKeyLGKCKISHXAIGKH-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.43
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone

[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone (PubChem CID 166268120) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone
PubChem CID166268120
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone
SMILESCn1ccc2[nH]c(C(=O)N3CCN(C4Cc5ccccc5C4)CC3)cc21
InChIInChI=1S/C21H24N4O/c1-23-7-6-18-20(23)14-19(22-18)21(26)25-10-8-24(9-11-25)17-12-15-4-2-3-5-16(15)13-17/h2-7,14,17,22H,8-13H2,1H3
InChIKeyLGKCKISHXAIGKH-UHFFFAOYSA-N
XLogP2.43
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435
(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 166268517
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
1-[4-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 70743799
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone (CID 166268120) is [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone is Cn1ccc2[nH]c(C(=O)N3CCN(C4Cc5ccccc5C4)CC3)cc21.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is LGKCKISHXAIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-23-7-6-18-20(23)14-19(22-18)21(26)25-10-8-24(9-11-25)17-12-15-4-2-3-5-16(15)13-17/h2-7,14,17,22H,8-13H2,1H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone?
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 166268120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).