1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

C21H22N4O4 — CID 22025167

IUPAC1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(Oc3cccc4cc(C(=O)O)n(C)c34)ccn2)CC1
InChIInChI=1S/C21H22N4O4/c1-23-8-10-25(11-9-23)20(26)16-13-15(6-7-22-16)29-18-5-3-4-14-12-17(21(27)28)24(2)19(14)18/h3-7,12-13H,8-11H2,1-2H3,(H,27,28)
InChIKeyXNIUBTAVDZZCBR-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.45
Rot. Bonds4

About 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid

1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (PubChem CID 22025167) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
PubChem CID22025167
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(Oc3cccc4cc(C(=O)O)n(C)c34)ccn2)CC1
InChIInChI=1S/C21H22N4O4/c1-23-8-10-25(11-9-23)20(26)16-13-15(6-7-22-16)29-18-5-3-4-14-12-17(21(27)28)24(2)19(14)18/h3-7,12-13H,8-11H2,1-2H3,(H,27,28)
InChIKeyXNIUBTAVDZZCBR-UHFFFAOYSA-N
XLogP2.45
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-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

A 33853
CID 133379
PD-0333941
CID 10134976
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
2-[2-(2-Pyridinyl)-1,3-benzoxazol-5-yl]acetic acid
CID 1478216
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 2809798
5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindole-2-carboxylic acid
CID 76325640
5-{2-[(R)-2-(6-Amino-pyridin-3-yl)-2-hydroxy-ethylamino]-ethoxy}-1-methyl-1H-indole-2-carboxylic acid
CID 9820697
3-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 9889247
1-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
1-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 10599324
2-[4-(6-methoxy-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)butyl]-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 11676600
2-isopropyl-8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678214

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid (CID 22025167) is 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is CN1CCN(C(=O)c2cc(Oc3cccc4cc(C(=O)O)n(C)c34)ccn2)CC1.
What is the InChIKey of 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
The InChIKey is XNIUBTAVDZZCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-23-8-10-25(11-9-23)20(26)16-13-15(6-7-22-16)29-18-5-3-4-14-12-17(21(27)28)24(2)19(14)18/h3-7,12-13H,8-11H2,1-2H3,(H,27,28).
What are the key properties of 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid?
1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]oxy]indole-2-carboxylic acid is sourced from PubChem (CID 22025167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).