[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone

C24H24N4O — CID 112852970

IUPAC[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCc3ccccc32)nc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C24H24N4O/c29-24(27-14-7-2-8-15-27)20-17-22(26-23(25-20)19-10-3-1-4-11-19)28-16-13-18-9-5-6-12-21(18)28/h1,3-6,9-12,17H,2,7-8,13-16H2
InChIKeyNYZFXYCTRLMOHG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.46
Rot. Bonds3

About [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 112852970) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID112852970
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCc3ccccc32)nc(-c2ccccc2)n1)N1CCCCC1
InChIInChI=1S/C24H24N4O/c29-24(27-14-7-2-8-15-27)20-17-22(26-23(25-20)19-10-3-1-4-11-19)28-16-13-18-9-5-6-12-21(18)28/h1,3-6,9-12,17H,2,7-8,13-16H2
InChIKeyNYZFXYCTRLMOHG-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone 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

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852741
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854327
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
CID 112881040
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 112852970) is [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(N2CCc3ccccc32)nc(-c2ccccc2)n1)N1CCCCC1.
What is the InChIKey of [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NYZFXYCTRLMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(27-14-7-2-8-15-27)20-17-22(26-23(25-20)19-10-3-1-4-11-19)28-16-13-18-9-5-6-12-21(18)28/h1,3-6,9-12,17H,2,7-8,13-16H2.
What are the key properties of [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 384.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 112852970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).