6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione

C21H20F2N4O3 — CID 155558060

IUPAC6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1ncccc1OC(F)F
InChIInChI=1S/C21H20F2N4O3/c1-11-13-8-10-27(18-16(30-20(22)23)5-4-9-24-18)15(13)7-6-14(11)17-12(2)19(28)25-21(29)26(17)3/h4-7,9,20H,8,10H2,1-3H3,(H,25,28,29)
InChIKeyBNXZHEGBJLLPBA-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.05
Rot. Bonds4

About 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione

6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 155558060) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID155558060
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1ncccc1OC(F)F
InChIInChI=1S/C21H20F2N4O3/c1-11-13-8-10-27(18-16(30-20(22)23)5-4-9-24-18)15(13)7-6-14(11)17-12(2)19(28)25-21(29)26(17)3/h4-7,9,20H,8,10H2,1-3H3,(H,25,28,29)
InChIKeyBNXZHEGBJLLPBA-UHFFFAOYSA-N
XLogP3.05
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione (CID 155558060) is 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione is Cc1c(-c2c(C)c(=O)[nH]c(=O)n2C)ccc2c1CCN2c1ncccc1OC(F)F.
What is the InChIKey of 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is BNXZHEGBJLLPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-11-13-8-10-27(18-16(30-20(22)23)5-4-9-24-18)15(13)7-6-14(11)17-12(2)19(28)25-21(29)26(17)3/h4-7,9,20H,8,10H2,1-3H3,(H,25,28,29).
What are the key properties of 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione?
6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 414.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(difluoromethoxy)-2-pyridinyl]-4-methyl-2,3-dihydroindol-5-yl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 155558060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).