[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C25H26N4O — CID 109174375

IUPAC[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(N4CCc5ccccc54)c3)CC2)c1
InChIInChI=1S/C25H26N4O/c1-19-5-4-7-22(17-19)27-13-15-28(16-14-27)25(30)21-9-11-26-24(18-21)29-12-10-20-6-2-3-8-23(20)29/h2-9,11,17-18H,10,12-16H2,1H3
InChIKeyVOWSFEYFXXXIID-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.05
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109174375) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109174375
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(N4CCc5ccccc54)c3)CC2)c1
InChIInChI=1S/C25H26N4O/c1-19-5-4-7-22(17-19)27-13-15-28(16-14-27)25(30)21-9-11-26-24(18-21)29-12-10-20-6-2-3-8-23(20)29/h2-9,11,17-18H,10,12-16H2,1H3
InChIKeyVOWSFEYFXXXIID-UHFFFAOYSA-N
XLogP4.05
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286387
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 84574277
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173968
2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286410
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109174375) is [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccnc(N4CCc5ccccc54)c3)CC2)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is VOWSFEYFXXXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19-5-4-7-22(17-19)27-13-15-28(16-14-27)25(30)21-9-11-26-24(18-21)29-12-10-20-6-2-3-8-23(20)29/h2-9,11,17-18H,10,12-16H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109174375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).