1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone

C21H18N4O2 — CID 109356633

IUPAC1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N3CCc4ccccc43)ncn2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(26)15-6-8-17(9-7-15)24-20-12-18(22-13-23-20)21(27)25-11-10-16-4-2-3-5-19(16)25/h2-9,12-13H,10-11H2,1H3,(H,22,23,24)
InChIKeyVQHUMOOYAROZQP-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone

1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 109356633) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID109356633
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C(=O)N3CCc4ccccc43)ncn2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(26)15-6-8-17(9-7-15)24-20-12-18(22-13-23-20)21(27)25-11-10-16-4-2-3-5-19(16)25/h2-9,12-13H,10-11H2,1H3,(H,22,23,24)
InChIKeyVQHUMOOYAROZQP-UHFFFAOYSA-N
XLogP3.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-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

2,3-dihydroindol-1-yl-[6-(2-methylanilino)pyrimidin-4-yl]methanone
CID 109355900
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109356630
2,3-dihydroindol-1-yl-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109356603
2,3-dihydroindol-1-yl-[6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109356624
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
2,3-dihydroindol-1-yl-[6-[4-(dimethylamino)anilino]-2-methylpyrimidin-4-yl]methanone
CID 112848751
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone (CID 109356633) is 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(C(=O)N3CCc4ccccc43)ncn2)cc1.
What is the InChIKey of 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is VQHUMOOYAROZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)15-6-8-17(9-7-15)24-20-12-18(22-13-23-20)21(27)25-11-10-16-4-2-3-5-19(16)25/h2-9,12-13H,10-11H2,1H3,(H,22,23,24).
What are the key properties of 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone?
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 358.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109356633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).