(5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone

C30H31N5O3 — CID 23209441

IUPAC(5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
SMILESCOc1cc2c(cc1N1CCNCC1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2
InChIInChI=1S/C30H31N5O3/c1-19-16-24(29-32-20(2)38-33-29)8-9-25(19)21-4-6-22(7-5-21)30(36)35-13-10-23-17-28(37-3)27(18-26(23)35)34-14-11-31-12-15-34/h4-9,16-18,31H,10-15H2,1-3H3
InChIKeyZQZKQPZOOVARPN-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.64
Rot. Bonds5

About (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone

(5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone (PubChem CID 23209441) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
PubChem CID23209441
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC Name(5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
SMILESCOc1cc2c(cc1N1CCNCC1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2
InChIInChI=1S/C30H31N5O3/c1-19-16-24(29-32-20(2)38-33-29)8-9-25(19)21-4-6-22(7-5-21)30(36)35-13-10-23-17-28(37-3)27(18-26(23)35)34-14-11-31-12-15-34/h4-9,16-18,31H,10-15H2,1-3H3
InChIKeyZQZKQPZOOVARPN-UHFFFAOYSA-N
XLogP4.64
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone with MolForge

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Related Compounds

N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
CID 107780
SB 224289
CID 3378093
1-[5-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindole-1-carbonyl]phenyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
CID 9871977
N-[4-(2-fluoroethoxy)-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10578117
N-[4-Hydroxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxamide
CID 10600871
N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10624768
N-[4-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10791443
2''-Methyl-4''-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-carboxylic acid [2,3-Dihydro-1''-methylspiro(benzofuran-3,4''-piperidine)]-amide
CID 10838923
SB 224289 hydrochloride
CID 11226716
GR 127935 hydrochloride
CID 11497466
[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone
CID 11591924
4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-spiro[2H-1-benzofuran-3,4'-piperidine]-5-ylbenzamide;hydrochloride
CID 18672699

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The IUPAC name of (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone (CID 23209441) is (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone.
What is the SMILES notation for (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The canonical SMILES for (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone is COc1cc2c(cc1N1CCNCC1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2.
What is the InChIKey of (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
The InChIKey is ZQZKQPZOOVARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c1-19-16-24(29-32-20(2)38-33-29)8-9-25(19)21-4-6-22(7-5-21)30(36)35-13-10-23-17-28(37-3)27(18-26(23)35)34-14-11-31-12-15-34/h4-9,16-18,31H,10-15H2,1-3H3.
What are the key properties of (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone?
(5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone has a molecular weight of 509.61 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-6-piperazin-1-yl-2,3-dihydroindol-1-yl)-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone is sourced from PubChem (CID 23209441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).