[4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

C23H23FN6O2 — CID 71791900

IUPAC[4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESCOc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1F
InChIInChI=1S/C23H23FN6O2/c1-32-22-5-3-18(13-20(22)24)30-19(14-26-27-30)15-28-8-10-29(11-9-28)23(31)17-2-4-21-16(12-17)6-7-25-21/h2-7,12-14,25H,8-11,15H2,1H3
InChIKeyBYKYGSBWFAHJAM-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.85
Rot. Bonds5

About [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

[4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 71791900) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID71791900
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name[4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESCOc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1F
InChIInChI=1S/C23H23FN6O2/c1-32-22-5-3-18(13-20(22)24)30-19(14-26-27-30)15-28-8-10-29(11-9-28)23(31)17-2-4-21-16(12-17)6-7-25-21/h2-7,12-14,25H,8-11,15H2,1H3
InChIKeyBYKYGSBWFAHJAM-UHFFFAOYSA-N
XLogP2.85
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone with MolForge

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Related Compounds

Del-22379
CID 11224574
(S)-1-(4-fluorobenzyl)-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide
CID 91864701
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 10410574
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933916
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600573
3-{4-[4-(2,4-Dimethoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11476079
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 7087092
3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylcarbamoyl]-piperidin-4-yl}-1H-indole-5-carboxylic acid amide
CID 10529106
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid methyl ester
CID 11247206

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (CID 71791900) is [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1F.
What is the InChIKey of [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is BYKYGSBWFAHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-32-22-5-3-18(13-20(22)24)30-19(14-26-27-30)15-28-8-10-29(11-9-28)23(31)17-2-4-21-16(12-17)6-7-25-21/h2-7,12-14,25H,8-11,15H2,1H3.
What are the key properties of [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
[4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 434.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 71791900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).