2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole

C26H21N3O2 — CID 157487820

IUPAC2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole
SMILESCc1cc2cc(Oc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1
InChIInChI=1S/C26H21N3O2/c1-18-15-20-17-23(11-12-24(20)28-18)31-26-13-14-27-25(29-26)16-19-7-9-22(10-8-19)30-21-5-3-2-4-6-21/h2-15,17,28H,16H2,1H3
InChIKeyBWXPOQLNWPVRFT-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.44
Rot. Bonds6

About 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole

2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole (PubChem CID 157487820) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole
PubChem CID157487820
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole
SMILESCc1cc2cc(Oc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1
InChIInChI=1S/C26H21N3O2/c1-18-15-20-17-23(11-12-24(20)28-18)31-26-13-14-27-25(29-26)16-19-7-9-22(10-8-19)30-21-5-3-2-4-6-21/h2-15,17,28H,16H2,1H3
InChIKeyBWXPOQLNWPVRFT-UHFFFAOYSA-N
XLogP6.44
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole 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

1-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1-[3-(2-methylsulfonylethoxy)phenyl]hydrazine
CID 90291334
N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 161036256
4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine
CID 59823204
5-phenoxy-1H-indole-2-carboxamide
CID 58720348
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenol;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenol;3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol;4-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenol
CID 158005298
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
CID 20703828
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
CID 23652869
2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
CID 59303242
benzene;2-methyl-1H-indole
CID 158804583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole?
The IUPAC name of 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole (CID 157487820) is 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole?
The canonical SMILES for 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole is Cc1cc2cc(Oc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.
What is the InChIKey of 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole?
The InChIKey is BWXPOQLNWPVRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-18-15-20-17-23(11-12-24(20)28-18)31-26-13-14-27-25(29-26)16-19-7-9-22(10-8-19)30-21-5-3-2-4-6-21/h2-15,17,28H,16H2,1H3.
What are the key properties of 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole?
2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole has a molecular weight of 407.47 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 157487820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).