1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone

C20H25N5O — CID 171704576

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone
SMILESCc1cc(N2CC(N(C)CC(=O)N3CCc4ccccc43)C2)nc(C)n1
InChIInChI=1S/C20H25N5O/c1-14-10-19(22-15(2)21-14)24-11-17(12-24)23(3)13-20(26)25-9-8-16-6-4-5-7-18(16)25/h4-7,10,17H,8-9,11-13H2,1-3H3
InChIKeyWDCPWPGECIUWKB-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.80
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone (PubChem CID 171704576) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone
PubChem CID171704576
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone
SMILESCc1cc(N2CC(N(C)CC(=O)N3CCc4ccccc43)C2)nc(C)n1
InChIInChI=1S/C20H25N5O/c1-14-10-19(22-15(2)21-14)24-11-17(12-24)23(3)13-20(26)25-9-8-16-6-4-5-7-18(16)25/h4-7,10,17H,8-9,11-13H2,1-3H3
InChIKeyWDCPWPGECIUWKB-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone 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-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]amino]ethanone
CID 172904036
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone;ethane
CID 123957128
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
CID 171999350
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)morpholin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172881752
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone (CID 171704576) is 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone is Cc1cc(N2CC(N(C)CC(=O)N3CCc4ccccc43)C2)nc(C)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone?
The InChIKey is WDCPWPGECIUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-10-19(22-15(2)21-14)24-11-17(12-24)23(3)13-20(26)25-9-8-16-6-4-5-7-18(16)25/h4-7,10,17H,8-9,11-13H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone has a molecular weight of 351.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]ethanone is sourced from PubChem (CID 171704576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).