7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid

C18H20N4O3 — CID 22025260

IUPAC7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
SMILESCN(C)CCc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1
InChIInChI=1S/C18H20N4O3/c1-21(2)10-8-15-19-9-7-16(20-15)25-14-6-4-5-12-11-13(18(23)24)22(3)17(12)14/h4-7,9,11H,8,10H2,1-3H3,(H,23,24)
InChIKeyZUHNZQJDNWKCPL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.56
Rot. Bonds6

About 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid

7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid (PubChem CID 22025260) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
PubChem CID22025260
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
SMILESCN(C)CCc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1
InChIInChI=1S/C18H20N4O3/c1-21(2)10-8-15-19-9-7-16(20-15)25-14-6-4-5-12-11-13(18(23)24)22(3)17(12)14/h4-7,9,11H,8,10H2,1-3H3,(H,23,24)
InChIKeyZUHNZQJDNWKCPL-UHFFFAOYSA-N
XLogP2.56
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-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

7-[2-(4-tert-butylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
CID 22025243
3-amino-5-tert-butyl-2-methoxy-N-methylbenzenesulfonamide;7-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
CID 172777306
1-methyl-7-[[2-(methylaminomethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
CID 22025182
7-[2-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-N-[3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylindole-2-carboxamide
CID 23540363
7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 23540354
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-[2-(4-tert-butylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 10394904
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
N-(5-tert-butyl-2-methyl-3-pyridinyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyindole-2-carboxamide
CID 11720449
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-(dimethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 10460590
1-methyl-7-phenylindole-2-carboxylic acid
CID 171663138
7-propan-2-yl-1-(pyrimidin-2-ylmethyl)indole-2-carboxylic acid
CID 159080426
1-methyl-7-(2-phenylethylamino)indole-2-carboxylic acid
CID 174277455

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid (CID 22025260) is 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid is CN(C)CCc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1.
What is the InChIKey of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
The InChIKey is ZUHNZQJDNWKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21(2)10-8-15-19-9-7-16(20-15)25-14-6-4-5-12-11-13(18(23)24)22(3)17(12)14/h4-7,9,11H,8,10H2,1-3H3,(H,23,24).
What are the key properties of 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid?
7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 22025260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).