1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone

C26H23N5O — CID 167754497

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
SMILESCc1cc(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C26H23N5O/c1-18-16-24(30-26(28-18)21-10-13-27-14-11-21)29-22-8-6-19(7-9-22)17-25(32)31-15-12-20-4-2-3-5-23(20)31/h2-11,13-14,16H,12,15,17H2,1H3,(H,28,29,30)
InChIKeyJTDGBBRRZHHJDR-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.72
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone (PubChem CID 167754497) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
PubChem CID167754497
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
SMILESCc1cc(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C26H23N5O/c1-18-16-24(30-26(28-18)21-10-13-27-14-11-21)29-22-8-6-19(7-9-22)17-25(32)31-15-12-20-4-2-3-5-23(20)31/h2-11,13-14,16H,12,15,17H2,1H3,(H,28,29,30)
InChIKeyJTDGBBRRZHHJDR-UHFFFAOYSA-N
XLogP4.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]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

2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile
CID 133284765
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide
CID 22382483
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
2,3-dihydroindol-1-yl-[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109371243
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone (CID 167754497) is 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone is Cc1cc(Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The InChIKey is JTDGBBRRZHHJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-18-16-24(30-26(28-18)21-10-13-27-14-11-21)29-22-8-6-19(7-9-22)17-25(32)31-15-12-20-4-2-3-5-23(20)31/h2-11,13-14,16H,12,15,17H2,1H3,(H,28,29,30).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone has a molecular weight of 421.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 167754497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).