4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde

C25H29ClN4O — CID 174608532

IUPAC4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde
SMILESO=CC1CN(Cc2c(-c3ccccc3)[nH]c3c(NC4CCCC4)cc(Cl)cc23)CCN1
InChIInChI=1S/C25H29ClN4O/c26-18-12-21-22(15-30-11-10-27-20(14-30)16-31)24(17-6-2-1-3-7-17)29-25(21)23(13-18)28-19-8-4-5-9-19/h1-3,6-7,12-13,16,19-20,27-29H,4-5,8-11,14-15H2
InChIKeyZMRVAZNNGGSHPJ-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.82
Rot. Bonds6

About 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde

4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde (PubChem CID 174608532) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde.

Molecular Properties

Compound Name4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde
PubChem CID174608532
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde
SMILESO=CC1CN(Cc2c(-c3ccccc3)[nH]c3c(NC4CCCC4)cc(Cl)cc23)CCN1
InChIInChI=1S/C25H29ClN4O/c26-18-12-21-22(15-30-11-10-27-20(14-30)16-31)24(17-6-2-1-3-7-17)29-25(21)23(13-18)28-19-8-4-5-9-19/h1-3,6-7,12-13,16,19-20,27-29H,4-5,8-11,14-15H2
InChIKeyZMRVAZNNGGSHPJ-UHFFFAOYSA-N
XLogP4.82
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclopentyl-2-phenyl-1H-indol-7-amine
CID 25214710
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-phenyl-1H-indol-7-amine;5-chloro-N-(1-methylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 68761398
5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid
CID 121433306
5-chloro-3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenyl-1H-indole
CID 11453147
4-[[5-methyl-7-(piperidin-4-ylmethylamino)-1H-indol-2-yl]methyl]piperazine-2-carbaldehyde
CID 174787783
6-chloro-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]amino]chromen-2-one
CID 10003619
3-bromo-5-[(1,1-dioxo-1,4-thiazin-4-yl)methyl]-N-(oxan-4-yl)-2-phenyl-1H-indol-7-amine
CID 174608682
3-[[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methyl]benzoic acid
CID 174613965
N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine
CID 68812331
2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68795923
5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde
CID 167454942
2-(4-chlorophenyl)-3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1H-indole
CID 11178875

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde?
The IUPAC name of 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde (CID 174608532) is 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde.
What is the SMILES notation for 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde?
The canonical SMILES for 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde is O=CC1CN(Cc2c(-c3ccccc3)[nH]c3c(NC4CCCC4)cc(Cl)cc23)CCN1.
What is the InChIKey of 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde?
The InChIKey is ZMRVAZNNGGSHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-18-12-21-22(15-30-11-10-27-20(14-30)16-31)24(17-6-2-1-3-7-17)29-25(21)23(13-18)28-19-8-4-5-9-19/h1-3,6-7,12-13,16,19-20,27-29H,4-5,8-11,14-15H2.
What are the key properties of 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde?
4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde has a molecular weight of 436.99 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-7-(cyclopentylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazine-2-carbaldehyde is sourced from PubChem (CID 174608532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).