2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid

C26H26N4O2 — CID 42653216

IUPAC2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)C(c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C26H26N4O2/c31-26(32)25(30-16-14-29(15-17-30)18-20-10-6-7-13-27-20)23-21-11-4-5-12-22(21)28-24(23)19-8-2-1-3-9-19/h1-13,25,28H,14-18H2,(H,31,32)
InChIKeyJMIANGZHENYCSZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.17
Rot. Bonds6

About 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid

2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid (PubChem CID 42653216) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
PubChem CID42653216
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)C(c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C26H26N4O2/c31-26(32)25(30-16-14-29(15-17-30)18-20-10-6-7-13-27-20)23-21-11-4-5-12-22(21)28-24(23)19-8-2-1-3-9-19/h1-13,25,28H,14-18H2,(H,31,32)
InChIKeyJMIANGZHENYCSZ-UHFFFAOYSA-N
XLogP4.17
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid 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

(2R)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
CID 39313747
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
CID 42651593
2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid
CID 42651553
(2R)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid
CID 29132189
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
3-[carboxy-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1-methylindole-5-carboxylic acid
CID 45493804
3-[(S)-carboxy-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1-methylindole-5-carboxylic acid
CID 51719850
(2S)-2-(2,5-dimethylphenyl)-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 97193696
3-[(S)-carboxy-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxylic acid
CID 51720080
(2R)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid
CID 51720176
1-benzyl-3-[(S)-carboxy-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]indole-6-carboxylic acid
CID 51717093
3-[3-(4-phenylphenyl)-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1H-indol-2-yl]-1H-pyridin-2-one
CID 59508061

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid (CID 42653216) is 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid is O=C(O)C(c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid?
The InChIKey is JMIANGZHENYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(32)25(30-16-14-29(15-17-30)18-20-10-6-7-13-27-20)23-21-11-4-5-12-22(21)28-24(23)19-8-2-1-3-9-19/h1-13,25,28H,14-18H2,(H,31,32).
What are the key properties of 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid?
2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid has a molecular weight of 426.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 42653216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).