2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid

C19H20N4O2 — CID 156898016

IUPAC2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)cc2c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-1-2-18-15(11-14)12-16(21-18)13-22-7-9-23(10-8-22)17-3-5-20-6-4-17/h1-6,11-12,21H,7-10,13H2,(H,24,25)
InChIKeyYLEYCGJZQLKLEL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds4

About 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid

2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid (PubChem CID 156898016) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid
PubChem CID156898016
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)cc2c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-1-2-18-15(11-14)12-16(21-18)13-22-7-9-23(10-8-22)17-3-5-20-6-4-17/h1-6,11-12,21H,7-10,13H2,(H,24,25)
InChIKeyYLEYCGJZQLKLEL-UHFFFAOYSA-N
XLogP2.58
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic 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

2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
CID 76995991
5-isocyano-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole
CID 87765518
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-4-ylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 154891600
2-ethyl-1H-indole-5-carboxylic acid
CID 22708328
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 156898005
3-chloro-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoate
CID 156641365
2-[4-[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524890
2-[3-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524210
1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 154868871
4-[4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]benzoic acid
CID 122561842
1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
CID 156898163
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135620645

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid (CID 156898016) is 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)cc2c1.
What is the InChIKey of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid?
The InChIKey is YLEYCGJZQLKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)14-1-2-18-15(11-14)12-16(21-18)13-22-7-9-23(10-8-22)17-3-5-20-6-4-17/h1-6,11-12,21H,7-10,13H2,(H,24,25).
What are the key properties of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid?
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid has a molecular weight of 336.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 156898016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).